(2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid

C18H32N2O5 — CID 142268572

IUPAC(2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid
SMILESCOC(=O)NC(C(=O)N(CC(C)(C)C)[C@@H](C)C(=O)O)C1CCCCC1
InChIInChI=1S/C18H32N2O5/c1-12(16(22)23)20(11-18(2,3)4)15(21)14(19-17(24)25-5)13-9-7-6-8-10-13/h12-14H,6-11H2,1-5H3,(H,19,24)(H,22,23)/t12-,14?/m0/s1
InChIKeyGODSXLUOKSHYDT-NBFOIZRFSA-N
MW356.46 g/mol
LogP2.64
Rot. Bonds6

About (2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid

(2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid (PubChem CID 142268572) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is (2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid
PubChem CID142268572
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Name(2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid
SMILESCOC(=O)NC(C(=O)N(CC(C)(C)C)[C@@H](C)C(=O)O)C1CCCCC1
InChIInChI=1S/C18H32N2O5/c1-12(16(22)23)20(11-18(2,3)4)15(21)14(19-17(24)25-5)13-9-7-6-8-10-13/h12-14H,6-11H2,1-5H3,(H,19,24)(H,22,23)/t12-,14?/m0/s1
InChIKeyGODSXLUOKSHYDT-NBFOIZRFSA-N
XLogP2.64
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate
CID 161131718
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
tert-butyl N-[(1S)-1-cyclohexyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamate;(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-methoxymethanamine;hydrochloride
CID 159188171
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
chloromethyl 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 165440604
tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate
CID 176580768
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68574299
methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate
CID 141363764
(2S)-2-cyclohexyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetic acid
CID 66890007
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate
CID 86678914

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid (CID 142268572) is (2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid is COC(=O)NC(C(=O)N(CC(C)(C)C)[C@@H](C)C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid?
The InChIKey is GODSXLUOKSHYDT-NBFOIZRFSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-12(16(22)23)20(11-18(2,3)4)15(21)14(19-17(24)25-5)13-9-7-6-8-10-13/h12-14H,6-11H2,1-5H3,(H,19,24)(H,22,23)/t12-,14?/m0/s1.
What are the key properties of (2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid?
(2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid has a molecular weight of 356.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-cyclohexyl-2-(methoxycarbonylamino)acetyl]-(2,2-dimethylpropyl)amino]propanoic acid is sourced from PubChem (CID 142268572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).