4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid

C11H20N2O4 — CID 103157199

IUPAC4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)C1CCCC1N)CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-7(5-10(14)15)6-13-11(16)8-3-2-4-9(8)12/h7-9H,2-6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyWXBAYFFGSQIIIV-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.28
Rot. Bonds6

About 4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid

4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid (PubChem CID 103157199) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid
PubChem CID103157199
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)C1CCCC1N)CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-7(5-10(14)15)6-13-11(16)8-3-2-4-9(8)12/h7-9H,2-6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyWXBAYFFGSQIIIV-UHFFFAOYSA-N
XLogP-0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-aminocyclopentanecarbonyl)amino]methyl]pentanoic acid
CID 81073216
3-methoxy-4-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 103152560
(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
CID 65495163
3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 64824640
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
CID 64824606
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
CID 103153423
3-methoxy-4-[(4-methylcyclohexanecarbonyl)amino]butanoic acid
CID 103153013
3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103157063
methyl 2-[(2-aminocyclopentanecarbonyl)amino]acetate
CID 64823371
2-amino-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221074
3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid
CID 103157185
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid (CID 103157199) is 4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid is COC(CNC(=O)C1CCCC1N)CC(=O)O.
What is the InChIKey of 4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid?
The InChIKey is WXBAYFFGSQIIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-17-7(5-10(14)15)6-13-11(16)8-3-2-4-9(8)12/h7-9H,2-6,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid?
4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclopentanecarbonyl)amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103157199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).