2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid

C11H16N4O3 — CID 143862419

IUPAC2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid
SMILESNNCC(=O)N(N)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H16N4O3/c12-14-7-10(16)15(13)9(11(17)18)6-8-4-2-1-3-5-8/h1-5,9,14H,6-7,12-13H2,(H,17,18)
InChIKeyZQZYSEXHRZWPOP-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.15
Rot. Bonds6

About 2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid

2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid (PubChem CID 143862419) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid
PubChem CID143862419
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid
SMILESNNCC(=O)N(N)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H16N4O3/c12-14-7-10(16)15(13)9(11(17)18)6-8-4-2-1-3-5-8/h1-5,9,14H,6-7,12-13H2,(H,17,18)
InChIKeyZQZYSEXHRZWPOP-UHFFFAOYSA-N
XLogP-1.15
TPSA121.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid
CID 174662660
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
CID 160513351
CID 160513351
(2S)-2-[bis(methylamino)amino]-3-phenylpropanoic acid
CID 156761837
(2S)-2-[bis(sulfanyl)amino]-3-phenylpropanoic acid
CID 88617748
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
(2S)-2-[chloromethyl(methyl)amino]-3-phenylpropanoic acid
CID 54255696
2-(dihydroxyamino)-3-phenylpropanoic acid;prop-2-enoic acid
CID 174675777
2-[amino-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]amino]-3-phenylpropanoic acid
CID 174370152
2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 174613467
2-[benzyl(ethoxycarbonyl)amino]-3-phenylpropanoic acid
CID 10711290
2-[N-(aminomethyl)anilino]-3-phenylpropanoic acid
CID 70086779

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid (CID 143862419) is 2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid is NNCC(=O)N(N)C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid?
The InChIKey is ZQZYSEXHRZWPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-14-7-10(16)15(13)9(11(17)18)6-8-4-2-1-3-5-8/h1-5,9,14H,6-7,12-13H2,(H,17,18).
What are the key properties of 2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid?
2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid has a molecular weight of 252.27 g/mol, XLogP of -1.15, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 143862419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).