3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid

C11H20N2O3 — CID 82768685

IUPAC3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1(C)CCCC1N
InChIInChI=1S/C11H20N2O3/c1-7(6-9(14)15)13-10(16)11(2)5-3-4-8(11)12/h7-8H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyDNINKVHMFQOQLG-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds4

About 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid

3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid (PubChem CID 82768685) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid
PubChem CID82768685
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1(C)CCCC1N
InChIInChI=1S/C11H20N2O3/c1-7(6-9(14)15)13-10(16)11(2)5-3-4-8(11)12/h7-8H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyDNINKVHMFQOQLG-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-methyl-N-(4-methylpentan-2-yl)cyclopentane-1-carboxamide
CID 82763758
2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 82767340
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-methylcyclopentane-1-carboxamide
CID 82768546
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82759479
3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
CID 82768358
2-amino-N-(1-cyclohexylethyl)-1-methylcyclopentane-1-carboxamide
CID 82768064
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
CID 116607171
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methylsulfonylbutanoic acid
CID 82767680
2-amino-1-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 82766043
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
(2S)-2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82758703

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid (CID 82768685) is 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)C1(C)CCCC1N.
What is the InChIKey of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid?
The InChIKey is DNINKVHMFQOQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(6-9(14)15)13-10(16)11(2)5-3-4-8(11)12/h7-8H,3-6,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid?
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 82768685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).