2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid

C16H20N4O4 — CID 140539810

IUPAC2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid
SMILESNC(Cc1cnc(C(=O)C(O)C(N)Cc2ccccc2)[nH]1)C(=O)O
InChIInChI=1S/C16H20N4O4/c17-11(6-9-4-2-1-3-5-9)13(21)14(22)15-19-8-10(20-15)7-12(18)16(23)24/h1-5,8,11-13,21H,6-7,17-18H2,(H,19,20)(H,23,24)
InChIKeyBYMHZTUCAISWJH-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.52
Rot. Bonds8

About 2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid

2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid (PubChem CID 140539810) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid
PubChem CID140539810
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid
SMILESNC(Cc1cnc(C(=O)C(O)C(N)Cc2ccccc2)[nH]1)C(=O)O
InChIInChI=1S/C16H20N4O4/c17-11(6-9-4-2-1-3-5-9)13(21)14(22)15-19-8-10(20-15)7-12(18)16(23)24/h1-5,8,11-13,21H,6-7,17-18H2,(H,19,20)(H,23,24)
InChIKeyBYMHZTUCAISWJH-UHFFFAOYSA-N
XLogP-0.52
TPSA155.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
CID 59897360
CID 137098625
CID 137098625
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
2-amino-3-phenylpropanoic acid;nitrous acid
CID 54766273
2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride
CID 168922751

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid?
The IUPAC name of 2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid (CID 140539810) is 2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid is NC(Cc1cnc(C(=O)C(O)C(N)Cc2ccccc2)[nH]1)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid?
The InChIKey is BYMHZTUCAISWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c17-11(6-9-4-2-1-3-5-9)13(21)14(22)15-19-8-10(20-15)7-12(18)16(23)24/h1-5,8,11-13,21H,6-7,17-18H2,(H,19,20)(H,23,24).
What are the key properties of 2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid?
2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid has a molecular weight of 332.36 g/mol, XLogP of -0.52, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(3-amino-2-hydroxy-4-phenylbutanoyl)-1H-imidazol-5-yl]propanoic acid is sourced from PubChem (CID 140539810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).