(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid

C15H25N3O4 — CID 157149323

IUPAC(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid
SMILESNCCCC[C@@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C6H14N2O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4-2-1-3-5(8)6(9)10/h1-5,8H,6,10H2,(H,11,12);5H,1-4,7-8H2,(H,9,10)/t8-;5-/m01/s1
InChIKeyALBODLTZUXKBGZ-RERSEOJSSA-N
MW311.38 g/mol
LogP0.17
Rot. Bonds8

About (2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid

(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid (PubChem CID 157149323) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid
PubChem CID157149323
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid
SMILESNCCCC[C@@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C6H14N2O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4-2-1-3-5(8)6(9)10/h1-5,8H,6,10H2,(H,11,12);5H,1-4,7-8H2,(H,9,10)/t8-;5-/m01/s1
InChIKeyALBODLTZUXKBGZ-RERSEOJSSA-N
XLogP0.17
TPSA152.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2,6-diaminohexanoic acid)
CID 66625016
(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,6-diaminohexanoic acid;dodecanoic acid
CID 67531425
4-aminobutanoic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 68766473
2,6-diaminohexanoic acid;2-(fluoroamino)-3-phenylpropanoic acid
CID 87770950
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-phenylpropanoic acid;2,5-diaminopentanoic acid
CID 174368733
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2,6-diaminohexanoic acid
CID 135206229
deuterio (2S)-2,6-diaminohexanoate;1-phenylpropan-2-amine
CID 172689330
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid (CID 157149323) is (2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid is NCCCC[C@@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid?
The InChIKey is ALBODLTZUXKBGZ-RERSEOJSSA-N. The full InChI is InChI=1S/C9H11NO2.C6H14N2O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4-2-1-3-5(8)6(9)10/h1-5,8H,6,10H2,(H,11,12);5H,1-4,7-8H2,(H,9,10)/t8-;5-/m01/s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid?
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid has a molecular weight of 311.38 g/mol, XLogP of 0.17, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid is sourced from PubChem (CID 157149323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).