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

C12H22N2O3 — CID 107419800

IUPAC2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid
SMILESCC1CCCC1CNC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8-5-4-6-10(8)7-13-12(17)14(3)9(2)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyNCSZWMLETDECIT-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.54
Rot. Bonds4

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

2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid (PubChem CID 107419800) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid
PubChem CID107419800
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid
SMILESCC1CCCC1CNC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8-5-4-6-10(8)7-13-12(17)14(3)9(2)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyNCSZWMLETDECIT-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid
CID 107419829
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113426139
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812
(2-methylcyclopentyl)methylurea
CID 107417745
(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 107416685
4-amino-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107418378
3-[(2,3-dimethylcyclohexyl)methylcarbamoyl-methylamino]propanoic acid
CID 122012715
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107419034

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid (CID 107419800) is 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid is CC1CCCC1CNC(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is NCSZWMLETDECIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8-5-4-6-10(8)7-13-12(17)14(3)9(2)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid?
2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.54, 4 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]propanoic acid is sourced from PubChem (CID 107419800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).