4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid

C14H18N2O4 — CID 66238523

IUPAC4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C14H18N2O4/c15-11(6-9-4-2-1-3-5-9)13(17)16-12-8-20-7-10(12)14(18)19/h1-5,10-12H,6-8,15H2,(H,16,17)(H,18,19)/t10?,11-,12?/m0/s1
InChIKeyQAUWMQJCPOGJHM-CXQJBGSLSA-N
MW278.31 g/mol
LogP-0.23
Rot. Bonds5

About 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid

4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66238523) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid
PubChem CID66238523
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C14H18N2O4/c15-11(6-9-4-2-1-3-5-9)13(17)16-12-8-20-7-10(12)14(18)19/h1-5,10-12H,6-8,15H2,(H,16,17)(H,18,19)/t10?,11-,12?/m0/s1
InChIKeyQAUWMQJCPOGJHM-CXQJBGSLSA-N
XLogP-0.23
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
CID 175653873
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
2-amino-N-(oxan-3-yl)-3-phenylpropanamide
CID 63361697
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid
CID 66238525
2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide
CID 163831007
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
CID 78995761
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid (CID 66238523) is 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid is N[C@@H](Cc1ccccc1)C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is QAUWMQJCPOGJHM-CXQJBGSLSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-11(6-9-4-2-1-3-5-9)13(17)16-12-8-20-7-10(12)14(18)19/h1-5,10-12H,6-8,15H2,(H,16,17)(H,18,19)/t10?,11-,12?/m0/s1.
What are the key properties of 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid?
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).