2-benzyl-2-(cyclopropylmethylamino)butanoic acid

C15H21NO2 — CID 79008033

IUPAC2-benzyl-2-(cyclopropylmethylamino)butanoic acid
SMILESCCC(Cc1ccccc1)(NCC1CC1)C(=O)O
InChIInChI=1S/C15H21NO2/c1-2-15(14(17)18,16-11-13-8-9-13)10-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3,(H,17,18)
InChIKeyCMIMBHRPLDXXNO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.46
Rot. Bonds7

About 2-benzyl-2-(cyclopropylmethylamino)butanoic acid

2-benzyl-2-(cyclopropylmethylamino)butanoic acid (PubChem CID 79008033) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-benzyl-2-(cyclopropylmethylamino)butanoic acid.

Molecular Properties

Compound Name2-benzyl-2-(cyclopropylmethylamino)butanoic acid
PubChem CID79008033
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-benzyl-2-(cyclopropylmethylamino)butanoic acid
SMILESCCC(Cc1ccccc1)(NCC1CC1)C(=O)O
InChIInChI=1S/C15H21NO2/c1-2-15(14(17)18,16-11-13-8-9-13)10-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3,(H,17,18)
InChIKeyCMIMBHRPLDXXNO-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2-(ethylamino)-3-phenylpropanoic acid
CID 43753784
2-benzyl-2-(cyclopropylamino)butanamide
CID 79007963
2-ethyl-2-(oxan-4-ylmethylamino)butanoic acid
CID 78948214
methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate
CID 61001229
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
CID 61001115
methyl 2-benzyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 79008502
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)-2-ethylbutanoic acid
CID 104768952
2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69495970
(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828
ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate
CID 162406377
(2S)-2-[(4-hydroxyphenyl)methyl]-2-(3-phenylpropanoylamino)butanoic acid
CID 68843476

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(cyclopropylmethylamino)butanoic acid?
The IUPAC name of 2-benzyl-2-(cyclopropylmethylamino)butanoic acid (CID 79008033) is 2-benzyl-2-(cyclopropylmethylamino)butanoic acid.
What is the SMILES notation for 2-benzyl-2-(cyclopropylmethylamino)butanoic acid?
The canonical SMILES for 2-benzyl-2-(cyclopropylmethylamino)butanoic acid is CCC(Cc1ccccc1)(NCC1CC1)C(=O)O.
What is the InChIKey of 2-benzyl-2-(cyclopropylmethylamino)butanoic acid?
The InChIKey is CMIMBHRPLDXXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-15(14(17)18,16-11-13-8-9-13)10-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3,(H,17,18).
What are the key properties of 2-benzyl-2-(cyclopropylmethylamino)butanoic acid?
2-benzyl-2-(cyclopropylmethylamino)butanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(cyclopropylmethylamino)butanoic acid is sourced from PubChem (CID 79008033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).