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

C14H19NO5 — CID 107833905

IUPAC(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
SMILESCC(C)Oc1ccc(C(=O)NCC[C@H](O)C(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-9(2)20-11-5-3-10(4-6-11)13(17)15-8-7-12(16)14(18)19/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyGJQMOYBOPQWVLN-LBPRGKRZSA-N
MW281.31 g/mol
LogP1.04
Rot. Bonds7

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

(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid (PubChem CID 107833905) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
PubChem CID107833905
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
SMILESCC(C)Oc1ccc(C(=O)NCC[C@H](O)C(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-9(2)20-11-5-3-10(4-6-11)13(17)15-8-7-12(16)14(18)19/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyGJQMOYBOPQWVLN-LBPRGKRZSA-N
XLogP1.04
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 104681875
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832721
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
4-[[4-(aminomethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107836274
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
CID 107834157
4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107832382
4-[(4-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832074
(2S)-4-[2-(4-chlorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107834513

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid (CID 107833905) is (2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid is CC(C)Oc1ccc(C(=O)NCC[C@H](O)C(=O)O)cc1.
What is the InChIKey of (2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid?
The InChIKey is GJQMOYBOPQWVLN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(2)20-11-5-3-10(4-6-11)13(17)15-8-7-12(16)14(18)19/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid?
(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 107833905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).