4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid

C12H22N2O3 — CID 80539395

IUPAC4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)C1CCCC1CN)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(12(16)17)5-6-14-11(15)10-4-2-3-9(10)7-13/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeySWRSPGDFUVWUGV-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.59
Rot. Bonds6

About 4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid

4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid (PubChem CID 80539395) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid
PubChem CID80539395
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)C1CCCC1CN)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(12(16)17)5-6-14-11(15)10-4-2-3-9(10)7-13/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeySWRSPGDFUVWUGV-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
CID 80538268
2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
CID 115747505
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclopentane-1-carboxamide
CID 102906008
2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107317629
2-(aminomethyl)-N-[2-(methylsulfamoyl)ethyl]cyclopentane-1-carboxamide
CID 114175192
2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 112702833
4-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylbutanoic acid
CID 81073388
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106047668
3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 64824640
4-[(4-aminocyclohexanecarbonyl)amino]-2-methylbutanoic acid
CID 80539751
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 113269315
2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid
CID 79457580

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid?
The IUPAC name of 4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid (CID 80539395) is 4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid is CC(CCNC(=O)C1CCCC1CN)C(=O)O.
What is the InChIKey of 4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid?
The InChIKey is SWRSPGDFUVWUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(12(16)17)5-6-14-11(15)10-4-2-3-9(10)7-13/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid?
4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 80539395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).