(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid

C15H19NO4 — CID 93481085

IUPAC(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(O)C[C@H](NC(=O)OCc1ccccc1)C1CCC1
InChIInChI=1S/C15H19NO4/c17-14(18)9-13(12-7-4-8-12)16-15(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyUSAXZPPNCBXRQG-ZDUSSCGKSA-N
MW277.32 g/mol
LogP2.56
Rot. Bonds6

About (3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid

(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 93481085) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID93481085
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(O)C[C@H](NC(=O)OCc1ccccc1)C1CCC1
InChIInChI=1S/C15H19NO4/c17-14(18)9-13(12-7-4-8-12)16-15(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyUSAXZPPNCBXRQG-ZDUSSCGKSA-N
XLogP2.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)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

3-(3-methylcyclohexyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103695947
(3S)-3-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid
CID 93481104
3-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid
CID 22309390
(3S)-3-(oxan-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941288
3-(4-tert-butylcyclohexyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104575616
(3S)-3-[(1S)-cyclohex-3-en-1-yl]-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481111
(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941294
benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate
CID 59178384
(3S)-3-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7015473
methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate
CID 66684480
benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate
CID 142520241
3-(5-methyloxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103873100

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid (CID 93481085) is (3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid is O=C(O)C[C@H](NC(=O)OCc1ccccc1)C1CCC1.
What is the InChIKey of (3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is USAXZPPNCBXRQG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(18)9-13(12-7-4-8-12)16-15(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t13-/m0/s1.
What are the key properties of (3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid?
(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 93481085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).