2-amino-2-benzylpentanoic acid

C12H17NO2 — CID 24974249

IUPAC2-amino-2-benzylpentanoic acid
SMILESCCCC(N)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H17NO2/c1-2-8-12(13,11(14)15)9-10-6-4-3-5-7-10/h3-7H,2,8-9,13H2,1H3,(H,14,15)
InChIKeyMQKNQJLWEDIARQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.81
Rot. Bonds5

About 2-amino-2-benzylpentanoic acid

2-amino-2-benzylpentanoic acid (PubChem CID 24974249) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-2-benzylpentanoic acid.

Molecular Properties

Compound Name2-amino-2-benzylpentanoic acid
PubChem CID24974249
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-2-benzylpentanoic acid
SMILESCCCC(N)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H17NO2/c1-2-8-12(13,11(14)15)9-10-6-4-3-5-7-10/h3-7H,2,8-9,13H2,1H3,(H,14,15)
InChIKeyMQKNQJLWEDIARQ-UHFFFAOYSA-N
XLogP1.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,4-diamino-2-benzylbutanoic acid
CID 70154199
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
3-amino-3-benzylheptan-4-one;hydrochloride
CID 174586501
2-amino-2-benzylhexanamide
CID 174812463
ethyl 2-amino-2-benzylbutanoate
CID 10857051
2-amino-2-[(4-bromophenyl)methyl]hexanoic acid
CID 175669821
3-benzylhexan-3-amine
CID 79007389
2-benzyl-2-propylpropanediamide
CID 131715569
2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69408244
(2S)-2-amino-2-[(4-chlorophenyl)methyl]butanoic acid
CID 70178443
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
(2R)-2-amino-2-chloro-3-phenylpropanoic acid
CID 21116120

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-benzylpentanoic acid?
The IUPAC name of 2-amino-2-benzylpentanoic acid (CID 24974249) is 2-amino-2-benzylpentanoic acid.
What is the SMILES notation for 2-amino-2-benzylpentanoic acid?
The canonical SMILES for 2-amino-2-benzylpentanoic acid is CCCC(N)(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-2-benzylpentanoic acid?
The InChIKey is MQKNQJLWEDIARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-8-12(13,11(14)15)9-10-6-4-3-5-7-10/h3-7H,2,8-9,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-benzylpentanoic acid?
2-amino-2-benzylpentanoic acid has a molecular weight of 207.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-benzylpentanoic acid is sourced from PubChem (CID 24974249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).