2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid

C15H22N2O3 — CID 70469466

IUPAC2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid
SMILESCC(C)CC(N)C(=O)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(2)8-13(16)15(20)17(10-14(18)19)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3,(H,18,19)
InChIKeyVPZMHUVBKBJAFU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.47
Rot. Bonds7

About 2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid

2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid (PubChem CID 70469466) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid
PubChem CID70469466
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid
SMILESCC(C)CC(N)C(=O)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(2)8-13(16)15(20)17(10-14(18)19)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3,(H,18,19)
InChIKeyVPZMHUVBKBJAFU-UHFFFAOYSA-N
XLogP1.47
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051
3-amino-4-[benzyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 64896315
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600
methyl 2-[2-aminobutanoyl(benzyl)amino]acetate
CID 54872543
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 61163352
2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 104903696
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819
2-amino-3-[[(2S)-2-amino-3-(dibenzylamino)-3-oxopropyl]disulfanyl]-N,N-dibenzylpropanamide
CID 87772747
2-[(2-amino-3-phenylpropanoyl)-(carboxymethyl)amino]-4-methylpentanoic acid
CID 118324918
2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
CID 119196968
2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid
CID 175582504

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid?
The IUPAC name of 2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid (CID 70469466) is 2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid is CC(C)CC(N)C(=O)N(CC(=O)O)Cc1ccccc1.
What is the InChIKey of 2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid?
The InChIKey is VPZMHUVBKBJAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)8-13(16)15(20)17(10-14(18)19)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid?
2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid is sourced from PubChem (CID 70469466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).