(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

C13H18N2O4 — CID 18341314

IUPAC(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
SMILESN[C@H](CC(=O)O)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C13H18N2O4/c14-11(7-12(17)18)13(19)15-10(8-16)6-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8,14H2,(H,15,19)(H,17,18)/t10-,11+/m0/s1
InChIKeyZMFSCIZWASRWRR-WDEREUQCSA-N
MW266.30 g/mol
LogP-0.49
Rot. Bonds7

About (3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 18341314) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
PubChem CID18341314
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
SMILESN[C@H](CC(=O)O)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C13H18N2O4/c14-11(7-12(17)18)13(19)15-10(8-16)6-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8,14H2,(H,15,19)(H,17,18)/t10-,11+/m0/s1
InChIKeyZMFSCIZWASRWRR-WDEREUQCSA-N
XLogP-0.49
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 107861017
3-amino-4-oxo-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 54308046
3-amino-4-[[1-[[1-[(1-carboxy-2-phenylethyl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18252802
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide
CID 107860995
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
CID 63261191
3-amino-4-[[1-[[1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18251996
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
(3S)-3-amino-4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutanoic acid
CID 22791850
(3S)-3-amino-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid
CID 18607776

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of (3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid (CID 18341314) is (3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for (3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid is N[C@H](CC(=O)O)C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of (3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is ZMFSCIZWASRWRR-WDEREUQCSA-N. The full InChI is InChI=1S/C13H18N2O4/c14-11(7-12(17)18)13(19)15-10(8-16)6-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8,14H2,(H,15,19)(H,17,18)/t10-,11+/m0/s1.
What are the key properties of (3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid?
(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.49, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 18341314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).