ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate

C16H30N2O4 — CID 70097268

IUPACethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)C(O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C16H30N2O4/c1-3-22-14(19)9-11(2)18-16(21)15(20)13(17)10-12-7-5-4-6-8-12/h11-13,15,20H,3-10,17H2,1-2H3,(H,18,21)/t11?,13-,15?/m1/s1
InChIKeyPSWVZSPWDAVUQF-GLWUULTISA-N
MW314.43 g/mol
LogP1.10
Rot. Bonds8

About ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate

ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate (PubChem CID 70097268) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate
PubChem CID70097268
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nameethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)C(O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C16H30N2O4/c1-3-22-14(19)9-11(2)18-16(21)15(20)13(17)10-12-7-5-4-6-8-12/h11-13,15,20H,3-10,17H2,1-2H3,(H,18,21)/t11?,13-,15?/m1/s1
InChIKeyPSWVZSPWDAVUQF-GLWUULTISA-N
XLogP1.10
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate with MolForge

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Related Compounds

ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
CID 70063212
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide
CID 70064214
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride
CID 70064203
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
3-amino-N-(cyclohexylmethyl)-2-hydroxypentanamide
CID 139329085
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
ethyl (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoate
CID 22849150
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate?
The IUPAC name of ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate (CID 70097268) is ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate.
What is the SMILES notation for ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate?
The canonical SMILES for ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate is CCOC(=O)CC(C)NC(=O)C(O)[C@H](N)CC1CCCCC1.
What is the InChIKey of ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate?
The InChIKey is PSWVZSPWDAVUQF-GLWUULTISA-N. The full InChI is InChI=1S/C16H30N2O4/c1-3-22-14(19)9-11(2)18-16(21)15(20)13(17)10-12-7-5-4-6-8-12/h11-13,15,20H,3-10,17H2,1-2H3,(H,18,21)/t11?,13-,15?/m1/s1.
What are the key properties of ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate?
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate has a molecular weight of 314.43 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate is sourced from PubChem (CID 70097268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).