2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid

C11H20N2O3 — CID 114548788

IUPAC2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid
SMILESCC1CCC(NC(=O)N(C)C(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-7-4-5-9(6-7)12-11(16)13(3)8(2)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyGRRPEDOZFJUVAZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds3

About 2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid

2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid (PubChem CID 114548788) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid
PubChem CID114548788
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid
SMILESCC1CCC(NC(=O)N(C)C(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-7-4-5-9(6-7)12-11(16)13(3)8(2)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyGRRPEDOZFJUVAZ-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid
CID 114096749
3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 104552932
2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361910
2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548922
2-chloro-N-(3-methylcyclopentyl)propanamide
CID 114544468
2-methoxy-N-(3-methylcyclopentyl)propanamide
CID 114541432
3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoyl]butanoic acid
CID 114550582
2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548741
2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide
CID 165385919
3-cyclopropyl-1-methyl-1-pentan-2-ylurea
CID 115581567
2-[1-azabicyclo[2.2.2]octan-3-ylcarbamoyl(methyl)amino]propanoic acid
CID 62639370
3-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044100

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid (CID 114548788) is 2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid is CC1CCC(NC(=O)N(C)C(C)C(=O)O)C1.
What is the InChIKey of 2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid?
The InChIKey is GRRPEDOZFJUVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-4-5-9(6-7)12-11(16)13(3)8(2)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid?
2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-methylcyclopentyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 114548788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).