2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid

C16H24N2O3 — CID 61411470

IUPAC2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C16H24N2O3/c1-5-13(3)18(11-15(19)20)16(21)17(4)10-14-9-7-6-8-12(14)2/h6-9,13H,5,10-11H2,1-4H3,(H,19,20)
InChIKeyMXDHGYWBIXNPRM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.73
Rot. Bonds6

About 2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid

2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid (PubChem CID 61411470) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid
PubChem CID61411470
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C16H24N2O3/c1-5-13(3)18(11-15(19)20)16(21)17(4)10-14-9-7-6-8-12(14)2/h6-9,13H,5,10-11H2,1-4H3,(H,19,20)
InChIKeyMXDHGYWBIXNPRM-UHFFFAOYSA-N
XLogP2.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065968
3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propan-2-ylamino]propanoic acid
CID 61411468
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
CID 61412234
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 61197361
2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid
CID 60828054
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid
CID 119955311
2-[acetyl-[(2-methylphenyl)methyl]amino]-3-methylbutanoic acid
CID 82045020
2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid
CID 60828723
2-[butan-2-yl-[(2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057446

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid (CID 61411470) is 2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N(C)Cc1ccccc1C.
What is the InChIKey of 2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid?
The InChIKey is MXDHGYWBIXNPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-13(3)18(11-15(19)20)16(21)17(4)10-14-9-7-6-8-12(14)2/h6-9,13H,5,10-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid?
2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 61411470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).