2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid

C13H24N2O3 — CID 107419829

IUPAC2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCC1CCCC1C
InChIInChI=1S/C13H24N2O3/c1-4-11(12(16)17)15(3)13(18)14-8-10-7-5-6-9(10)2/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyIVJXZIZNGAURAG-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds5

About 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid

2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid (PubChem CID 107419829) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid
PubChem CID107419829
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCC1CCCC1C
InChIInChI=1S/C13H24N2O3/c1-4-11(12(16)17)15(3)13(18)14-8-10-7-5-6-9(10)2/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyIVJXZIZNGAURAG-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid
CID 107419800
2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid
CID 55232840
2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113426139
(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
(2-methylcyclopentyl)methylurea
CID 107417745
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812
2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 107416685
2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 79801680
3-[(2,3-dimethylcyclohexyl)methylcarbamoyl-methylamino]propanoic acid
CID 122012715
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid (CID 107419829) is 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid is CCC(C(=O)O)N(C)C(=O)NCC1CCCC1C.
What is the InChIKey of 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid?
The InChIKey is IVJXZIZNGAURAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-11(12(16)17)15(3)13(18)14-8-10-7-5-6-9(10)2/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid?
2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 107419829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).