(2S)-2-amino-3-phenylpropanoic acid;decanoic acid

C19H31NO4 — CID 121267394

IUPAC(2S)-2-amino-3-phenylpropanoic acid;decanoic acid
SMILESCCCCCCCCCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H20O2.C9H11NO2/c1-2-3-4-5-6-7-8-9-10(11)12;10-8(9(11)12)6-7-4-2-1-3-5-7/h2-9H2,1H3,(H,11,12);1-5,8H,6,10H2,(H,11,12)/t;8-/m.0/s1
InChIKeyGSMIDOKMPZERPQ-WDBKTSHHSA-N
MW337.46 g/mol
LogP3.85
Rot. Bonds11

About (2S)-2-amino-3-phenylpropanoic acid;decanoic acid

(2S)-2-amino-3-phenylpropanoic acid;decanoic acid (PubChem CID 121267394) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;decanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;decanoic acid
PubChem CID121267394
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;decanoic acid
SMILESCCCCCCCCCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H20O2.C9H11NO2/c1-2-3-4-5-6-7-8-9-10(11)12;10-8(9(11)12)6-7-4-2-1-3-5-7/h2-9H2,1H3,(H,11,12);1-5,8H,6,10H2,(H,11,12)/t;8-/m.0/s1
InChIKeyGSMIDOKMPZERPQ-WDBKTSHHSA-N
XLogP3.85
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-phenylpropanoic acid;hexanedioic acid
CID 90108351
(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,6-diaminohexanoic acid;dodecanoic acid
CID 67531425
sodium;(2S)-2-amino-3-phenylpropanoate;decanoic acid
CID 89052494
2-amino-1-phenyldecan-3-one;hydrochloride
CID 3073894
2-amino-3-phenylpropanoic acid;1-chlorobutane
CID 174528725
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
2-amino-3-phenylpropanoic acid;2,2-dimethylnonadecan-3-amine
CID 175229731
2-amino-3-phenylpropanoic acid;N,N-dibutylbutan-1-amine
CID 139484362
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
6-[4-[(2S)-2-amino-2-carboxyethyl]phenyl]hexanoic acid
CID 122466735

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;decanoic acid?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;decanoic acid (CID 121267394) is (2S)-2-amino-3-phenylpropanoic acid;decanoic acid.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;decanoic acid?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;decanoic acid is CCCCCCCCCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;decanoic acid?
The InChIKey is GSMIDOKMPZERPQ-WDBKTSHHSA-N. The full InChI is InChI=1S/C10H20O2.C9H11NO2/c1-2-3-4-5-6-7-8-9-10(11)12;10-8(9(11)12)6-7-4-2-1-3-5-7/h2-9H2,1H3,(H,11,12);1-5,8H,6,10H2,(H,11,12)/t;8-/m.0/s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;decanoic acid?
(2S)-2-amino-3-phenylpropanoic acid;decanoic acid has a molecular weight of 337.46 g/mol, XLogP of 3.85, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;decanoic acid is sourced from PubChem (CID 121267394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).