(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid

C14H19NO5 — CID 107822214

IUPAC(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid
SMILESCCCOc1ccc(C(=O)N[C@@H](CCO)C(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-2-9-20-11-5-3-10(4-6-11)13(17)15-12(7-8-16)14(18)19/h3-6,12,16H,2,7-9H2,1H3,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyVKQBKRISTUVFHA-LBPRGKRZSA-N
MW281.31 g/mol
LogP1.04
Rot. Bonds8

About (2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid

(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid (PubChem CID 107822214) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid
PubChem CID107822214
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid
SMILESCCCOc1ccc(C(=O)N[C@@H](CCO)C(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-2-9-20-11-5-3-10(4-6-11)13(17)15-12(7-8-16)14(18)19/h3-6,12,16H,2,7-9H2,1H3,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyVKQBKRISTUVFHA-LBPRGKRZSA-N
XLogP1.04
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide
CID 115767380
(2S)-4-hydroxy-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid
CID 107822149
(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
CID 107144444
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564291
2-[(4-ethoxybenzoyl)amino]-4-ethylsulfonylbutanoic acid
CID 108755160
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750873
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid (CID 107822214) is (2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid is CCCOc1ccc(C(=O)N[C@@H](CCO)C(=O)O)cc1.
What is the InChIKey of (2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid?
The InChIKey is VKQBKRISTUVFHA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO5/c1-2-9-20-11-5-3-10(4-6-11)13(17)15-12(7-8-16)14(18)19/h3-6,12,16H,2,7-9H2,1H3,(H,15,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 107822214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).