2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid

C19H20N2O5 — CID 70053043

IUPAC2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)N(CC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C19H20N2O5/c20-16(11-14-7-3-1-4-8-14)18(24)21(12-17(22)23)19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13,20H2,(H,22,23)/t16-/m0/s1
InChIKeyGQSKGZYJVTUNKO-INIZCTEOSA-N
MW356.38 g/mol
LogP1.81
Rot. Bonds7

About 2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid

2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid (PubChem CID 70053043) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid
PubChem CID70053043
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)N(CC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C19H20N2O5/c20-16(11-14-7-3-1-4-8-14)18(24)21(12-17(22)23)19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13,20H2,(H,22,23)/t16-/m0/s1
InChIKeyGQSKGZYJVTUNKO-INIZCTEOSA-N
XLogP1.81
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate
CID 121493861
2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid
CID 175106250
2-[(2-amino-3-phenylpropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid
CID 70369106
benzyl N-[(2S)-2-amino-3-phenylpropanoyl]-N-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate
CID 18638310
benzyl (3S)-3-amino-2-oxo-4-phenylbutanoate
CID 22822919
2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
CID 78985735
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
CID 79269846
2-[(2-amino-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 79262621
2-[[(2S)-2-amino-3-phenylpropanoyl]-prop-2-ynylamino]acetic acid
CID 79274998
benzyl N-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-4-diazo-3-oxobutan-2-yl]carbamate
CID 90704407
benzyl N-[(2S)-2-aminopentanoyl]-N-(dimethoxyphosphorylmethyl)carbamate
CID 54208107
4-amino-2-methyl-3-oxo-5-phenyl-2-(N-phenylmethoxycarbonylanilino)pentanoic acid
CID 173433101

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid?
The IUPAC name of 2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid (CID 70053043) is 2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid is N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of 2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid?
The InChIKey is GQSKGZYJVTUNKO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O5/c20-16(11-14-7-3-1-4-8-14)18(24)21(12-17(22)23)19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13,20H2,(H,22,23)/t16-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid?
2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid has a molecular weight of 356.38 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid is sourced from PubChem (CID 70053043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).