5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid

C17H32N2O4 — CID 70415023

IUPAC5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid
SMILESCNCC(C)(C)OC(=O)NC(CCC1CCCCC1)CC(=O)O
InChIInChI=1S/C17H32N2O4/c1-17(2,12-18-3)23-16(22)19-14(11-15(20)21)10-9-13-7-5-4-6-8-13/h13-14,18H,4-12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyNNXAHOQVBNRFEU-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.91
Rot. Bonds9

About 5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid

5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid (PubChem CID 70415023) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is 5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid
PubChem CID70415023
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid
SMILESCNCC(C)(C)OC(=O)NC(CCC1CCCCC1)CC(=O)O
InChIInChI=1S/C17H32N2O4/c1-17(2,12-18-3)23-16(22)19-14(11-15(20)21)10-9-13-7-5-4-6-8-13/h13-14,18H,4-12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyNNXAHOQVBNRFEU-UHFFFAOYSA-N
XLogP2.91
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414
tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate
CID 68715214
tert-butyl N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamate
CID 59382980
tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate
CID 68758091
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 17039381
N-[(3S)-1-cyclohexyl-4,4-dimethylpentan-3-yl]acetamide
CID 156887281
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate
CID 107250560
(2S)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 171702983
(3S)-6-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
CID 162371906
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid (CID 70415023) is 5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid is CNCC(C)(C)OC(=O)NC(CCC1CCCCC1)CC(=O)O.
What is the InChIKey of 5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid?
The InChIKey is NNXAHOQVBNRFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-17(2,12-18-3)23-16(22)19-14(11-15(20)21)10-9-13-7-5-4-6-8-13/h13-14,18H,4-12H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid?
5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid has a molecular weight of 328.45 g/mol, XLogP of 2.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[[2-methyl-1-(methylamino)propan-2-yl]oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 70415023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).