2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene

C26H40N2O5 — CID 142110525

IUPAC2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)OC(=O)NC(C(=O)NCC(=O)O)C1CCCCC1.Cc1cccc2c1CCCC2
InChIInChI=1S/C15H26N2O5.C11H14/c1-15(2,3)22-14(21)17-12(10-7-5-4-6-8-10)13(20)16-9-11(18)19;1-9-5-4-7-10-6-2-3-8-11(9)10/h10,12H,4-9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19);4-5,7H,2-3,6,8H2,1H3
InChIKeyZNWZCUZRHUBOHX-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.53
Rot. Bonds5

About 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene

2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 142110525) has the molecular formula C26H40N2O5 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID142110525
Molecular FormulaC26H40N2O5
Molecular Weight460.62 g/mol
Exact Mass460.29
IUPAC Name2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)OC(=O)NC(C(=O)NCC(=O)O)C1CCCCC1.Cc1cccc2c1CCCC2
InChIInChI=1S/C15H26N2O5.C11H14/c1-15(2,3)22-14(21)17-12(10-7-5-4-6-8-10)13(20)16-9-11(18)19;1-9-5-4-7-10-6-2-3-8-11(9)10/h10,12H,4-9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19);4-5,7H,2-3,6,8H2,1H3
InChIKeyZNWZCUZRHUBOHX-UHFFFAOYSA-N
XLogP4.53
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

tert-butyl N-[(1R)-2-[3-(4-chlorophenyl)propylamino]-1-cyclohexyl-2-oxoethyl]carbamate
CID 176577409
tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate
CID 60596283
2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-2-oxohexanoyl]amino]acetic acid
CID 15957514
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
2-methylbutan-2-yl N-[(1R)-1-cyclohexyl-2-(2-methylanilino)-2-oxoethyl]carbamate;molecular hydrogen
CID 142869172
(3S)-3-(2,6-dimethylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 115491993
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
(3-methylcyclohexa-1,5-dien-1-yl)methyl (2S)-2-[[2-[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoyl]amino]hexanoylamino]acetyl]amino]-2-phenylacetate
CID 142110523
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
tert-butyl N-[1-cycloheptyl-2-[[4-[3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]carbamate
CID 155024787
[(1R)-1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] benzoate
CID 129389441
tert-butyl 4-[[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetyl]amino]methyl]piperidine-1-carboxylate
CID 54293223

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene (CID 142110525) is 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene is CC(C)(C)OC(=O)NC(C(=O)NCC(=O)O)C1CCCCC1.Cc1cccc2c1CCCC2.
What is the InChIKey of 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZNWZCUZRHUBOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5.C11H14/c1-15(2,3)22-14(21)17-12(10-7-5-4-6-8-10)13(20)16-9-11(18)19;1-9-5-4-7-10-6-2-3-8-11(9)10/h10,12H,4-9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19);4-5,7H,2-3,6,8H2,1H3.
What are the key properties of 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene?
2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 460.62 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid;5-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 142110525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).