2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid

C15H20N2O5 — CID 175106250

IUPAC2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid
SMILESCC(O)CC(=O)N(CC(=O)O)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H20N2O5/c1-10(18)7-13(19)17(9-14(20)21)15(22)12(16)8-11-5-3-2-4-6-11/h2-6,10,12,18H,7-9,16H2,1H3,(H,20,21)
InChIKeyUXEPDUCBUMIGEP-UHFFFAOYSA-N
MW308.33 g/mol
LogP-0.23
Rot. Bonds7

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

2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid (PubChem CID 175106250) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid
PubChem CID175106250
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid
SMILESCC(O)CC(=O)N(CC(=O)O)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H20N2O5/c1-10(18)7-13(19)17(9-14(20)21)15(22)12(16)8-11-5-3-2-4-6-11/h2-6,10,12,18H,7-9,16H2,1H3,(H,20,21)
InChIKeyUXEPDUCBUMIGEP-UHFFFAOYSA-N
XLogP-0.23
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid
CID 70053043
2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
CID 78985735
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
2-[(2-amino-3-phenylpropanoyl)-(carboxymethyl)amino]-4-methylpentanoic acid
CID 118324918
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate
CID 61158556
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
CID 79269846
2-[[(2S)-2-amino-3-phenylpropanoyl]-prop-2-ynylamino]acetic acid
CID 79274998
2-[(2-amino-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 79262621
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 78984867
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride
CID 158951284
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid (CID 175106250) is 2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid is CC(O)CC(=O)N(CC(=O)O)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid?
The InChIKey is UXEPDUCBUMIGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10(18)7-13(19)17(9-14(20)21)15(22)12(16)8-11-5-3-2-4-6-11/h2-6,10,12,18H,7-9,16H2,1H3,(H,20,21).
What are the key properties of 2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid?
2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid has a molecular weight of 308.33 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-phenylpropanoyl)-(3-hydroxybutanoyl)amino]acetic acid is sourced from PubChem (CID 175106250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).