4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid

C15H19NO5 — CID 69295761

IUPAC4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid
SMILESO=C(NC(CC1CC1)C(O)C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c17-13(14(18)19)12(8-10-6-7-10)16-15(20)21-9-11-4-2-1-3-5-11/h1-5,10,12-13,17H,6-9H2,(H,16,20)(H,18,19)
InChIKeyHDZLJFCCMRYALW-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.53
Rot. Bonds7

About 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid

4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid (PubChem CID 69295761) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid
PubChem CID69295761
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid
SMILESO=C(NC(CC1CC1)C(O)C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c17-13(14(18)19)12(8-10-6-7-10)16-15(20)21-9-11-4-2-1-3-5-11/h1-5,10,12-13,17H,6-9H2,(H,16,20)(H,18,19)
InChIKeyHDZLJFCCMRYALW-UHFFFAOYSA-N
XLogP1.53
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 67247253
(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54104350
(2S,3R)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 11067450
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate
CID 57124471
(2S)-3-cyclopropyl-1-oxo-2-(phenylmethoxycarbonylamino)propane-1-sulfonic acid
CID 58363617
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 15839659
benzyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamate
CID 59716955
(2R,3S)-2-hydroxy-4-(4-methylsulfanylphenyl)-3-(phenylmethoxycarbonylamino)butanoic acid
CID 57125389
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid?
The IUPAC name of 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid (CID 69295761) is 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid.
What is the SMILES notation for 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid?
The canonical SMILES for 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid is O=C(NC(CC1CC1)C(O)C(=O)O)OCc1ccccc1.
What is the InChIKey of 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid?
The InChIKey is HDZLJFCCMRYALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-13(14(18)19)12(8-10-6-7-10)16-15(20)21-9-11-4-2-1-3-5-11/h1-5,10,12-13,17H,6-9H2,(H,16,20)(H,18,19).
What are the key properties of 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid?
4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 69295761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).