3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid

C10H18N2O3 — CID 64824606

IUPAC3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCC1N
InChIInChI=1S/C10H18N2O3/c1-6(5-9(13)14)12-10(15)7-3-2-4-8(7)11/h6-8H,2-5,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyJDUXGCOUNWYWHP-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.09
Rot. Bonds4

About 3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid

3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid (PubChem CID 64824606) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
PubChem CID64824606
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCC1N
InChIInChI=1S/C10H18N2O3/c1-6(5-9(13)14)12-10(15)7-3-2-4-8(7)11/h6-8H,2-5,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyJDUXGCOUNWYWHP-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate
CID 119695162
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
2-amino-N-(1-cyanopropan-2-yl)cyclopentane-1-carboxamide
CID 64824063
2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
CID 82937442
2-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 64603110
2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
CID 119668927
2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide
CID 113493513
(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
CID 65495163
3-[[(2-aminocyclopentanecarbonyl)amino]methyl]pentanoic acid
CID 81073216
3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid
CID 81455937
2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824798
4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid
CID 103157199

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid (CID 64824606) is 3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)C1CCCC1N.
What is the InChIKey of 3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid?
The InChIKey is JDUXGCOUNWYWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(5-9(13)14)12-10(15)7-3-2-4-8(7)11/h6-8H,2-5,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid?
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 64824606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).