(2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid

C15H19NO5 — CID 170745120

IUPAC(2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@@H](COC1CCC1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c17-14(18)13(10-20-12-7-4-8-12)16-15(19)21-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyCOWLKDWXZNKHRY-ZDUSSCGKSA-N
MW293.32 g/mol
LogP1.94
Rot. Bonds7

About (2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid

(2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 170745120) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID170745120
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@@H](COC1CCC1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c17-14(18)13(10-20-12-7-4-8-12)16-15(19)21-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyCOWLKDWXZNKHRY-ZDUSSCGKSA-N
XLogP1.94
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate
CID 169233072
benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate
CID 170167802
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54104350
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylpiperidin-4-yl)oxypropanoic acid
CID 175150609
3-cyclopropyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 156691122
3-cycloheptylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 103878892
(2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid
CID 56777141
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
(2R)-4-(2-methylpropoxy)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 66587525
(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 11232535
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid (CID 170745120) is (2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid is O=C(N[C@@H](COC1CCC1)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is COWLKDWXZNKHRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO5/c17-14(18)13(10-20-12-7-4-8-12)16-15(19)21-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid?
(2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 170745120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).