(2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid

C16H28N2O5 — CID 68551431

IUPAC(2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid
SMILESCC(C)(C)OC(=O)NCC(=O)N[C@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C16H28N2O5/c1-16(2,3)23-15(22)17-10-13(19)18-12(14(20)21)9-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,17,22)(H,18,19)(H,20,21)/t12-/m1/s1
InChIKeyVKFCRMKFRXPJAV-GFCCVEGCSA-N
MW328.41 g/mol
LogP2.05
Rot. Bonds6

About (2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid

(2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid (PubChem CID 68551431) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid
PubChem CID68551431
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name(2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid
SMILESCC(C)(C)OC(=O)NCC(=O)N[C@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C16H28N2O5/c1-16(2,3)23-15(22)17-10-13(19)18-12(14(20)21)9-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,17,22)(H,18,19)(H,20,21)/t12-/m1/s1
InChIKeyVKFCRMKFRXPJAV-GFCCVEGCSA-N
XLogP2.05
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid with MolForge

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Related Compounds

(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
N-cyclohexylcyclohexanamine;3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 53398052
methyl 6-[[(2S)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoyl]amino]hexanoate
CID 70403345
methyl 6-[[(2S)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoyl]-methylamino]hexanoate
CID 70402050
tert-butyl N-[3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 68714876
tert-butyl N-[(2S)-4-chloro-1-cyclohexyl-3-oxobutan-2-yl]carbamate
CID 10063585
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
(2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]hexanoic acid
CID 131721921
(2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
CID 68551435
(2R)-2-[[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methyl-3-sulfanylbutanoic acid
CID 57312842
(2S)-2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;(2S)-3-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 161176078
(2S)-3-(1-deuteriocyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrate
CID 140883558

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid?
The IUPAC name of (2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid (CID 68551431) is (2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid is CC(C)(C)OC(=O)NCC(=O)N[C@H](CC1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid?
The InChIKey is VKFCRMKFRXPJAV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-16(2,3)23-15(22)17-10-13(19)18-12(14(20)21)9-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,17,22)(H,18,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid?
(2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid is sourced from PubChem (CID 68551431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).