2-amino-3-phenylpropanoic acid;azane

C9H44N12O2 — CID 174393642

IUPAC2-amino-3-phenylpropanoic acid;azane
SMILESN.N.N.N.N.N.N.N.N.N.N.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.11H3N/c10-8(9(11)12)6-7-4-2-1-3-5-7;;;;;;;;;;;/h1-5,8H,6,10H2,(H,11,12);11*1H3
InChIKeyAMPAXONXAHNSEZ-UHFFFAOYSA-N
MW352.53 g/mol
LogP2.42
Rot. Bonds3

About 2-amino-3-phenylpropanoic acid;azane

2-amino-3-phenylpropanoic acid;azane (PubChem CID 174393642) has the molecular formula C9H44N12O2 and a molecular weight of 352.53 g/mol. Its IUPAC name is 2-amino-3-phenylpropanoic acid;azane.

Molecular Properties

Compound Name2-amino-3-phenylpropanoic acid;azane
PubChem CID174393642
Molecular FormulaC9H44N12O2
Molecular Weight352.53 g/mol
Exact Mass352.37
IUPAC Name2-amino-3-phenylpropanoic acid;azane
SMILESN.N.N.N.N.N.N.N.N.N.N.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.11H3N/c10-8(9(11)12)6-7-4-2-1-3-5-7;;;;;;;;;;;/h1-5,8H,6,10H2,(H,11,12);11*1H3
InChIKeyAMPAXONXAHNSEZ-UHFFFAOYSA-N
XLogP2.42
TPSA448.32 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500352.53
LogP ≤ 52.42
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

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Related Compounds

(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(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;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827
CID 70476310
CID 70476310
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropanoic acid;azane?
The IUPAC name of 2-amino-3-phenylpropanoic acid;azane (CID 174393642) is 2-amino-3-phenylpropanoic acid;azane.
What is the SMILES notation for 2-amino-3-phenylpropanoic acid;azane?
The canonical SMILES for 2-amino-3-phenylpropanoic acid;azane is N.N.N.N.N.N.N.N.N.N.N.NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-phenylpropanoic acid;azane?
The InChIKey is AMPAXONXAHNSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.11H3N/c10-8(9(11)12)6-7-4-2-1-3-5-7;;;;;;;;;;;/h1-5,8H,6,10H2,(H,11,12);11*1H3.
What are the key properties of 2-amino-3-phenylpropanoic acid;azane?
2-amino-3-phenylpropanoic acid;azane has a molecular weight of 352.53 g/mol, XLogP of 2.42, 3 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropanoic acid;azane is sourced from PubChem (CID 174393642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).