(2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid

C19H21NO5 — CID 163210278

IUPAC(2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)OCc1ccccc1Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H21NO5/c1-13(21)17(18(22)23)20-19(24)25-12-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,17,21H,11-12H2,1H3,(H,20,24)(H,22,23)/t13-,17+/m1/s1
InChIKeyZZERDGSIUBWEMO-DYVFJYSZSA-N
MW343.38 g/mol
LogP2.34
Rot. Bonds7

About (2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid

(2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid (PubChem CID 163210278) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid
PubChem CID163210278
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)OCc1ccccc1Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H21NO5/c1-13(21)17(18(22)23)20-19(24)25-12-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,17,21H,11-12H2,1H3,(H,20,24)(H,22,23)/t13-,17+/m1/s1
InChIKeyZZERDGSIUBWEMO-DYVFJYSZSA-N
XLogP2.34
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid
CID 132598880
(2R,3R)-3-hydroxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
CID 124542605
(2S,3R,4S)-4-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 58703506
(2R)-4,4-dimethyl-3-[[(1R)-1-phenylethyl]carbamoyl]-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 67530189
(2S)-2-tert-butyl-3-(phenylmethoxycarbonylamino)butanedioic acid
CID 87673023
(2S,3S)-2-tert-butyl-3-(phenylmethoxycarbonylamino)butanedioic acid
CID 70070486
(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid
CID 7019129
benzyl (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butanoate
CID 11827004
benzyl N-[(2S,3R)-3-hydroxy-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-oxobutan-2-yl]carbamate
CID 131878189
(2S)-2-(phenylmethoxycarbonylamino)-3-propan-2-ylbutanedioic acid
CID 57299985
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
tert-butyl (2S,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate
CID 54562701

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid (CID 163210278) is (2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NC(=O)OCc1ccccc1Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid?
The InChIKey is ZZERDGSIUBWEMO-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H21NO5/c1-13(21)17(18(22)23)20-19(24)25-12-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,17,21H,11-12H2,1H3,(H,20,24)(H,22,23)/t13-,17+/m1/s1.
What are the key properties of (2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2-benzylphenyl)methoxycarbonylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 163210278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).