2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid

C11H20N2O4 — CID 113309539

IUPAC2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)C1(CN)CCCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-6-8(9(14)15)13-10(16)11(7-12)4-2-3-5-11/h8H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyYRVVOMAVXFKOLM-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.28
Rot. Bonds6

About 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid

2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid (PubChem CID 113309539) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
PubChem CID113309539
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)C1(CN)CCCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-6-8(9(14)15)13-10(16)11(7-12)4-2-3-5-11/h8H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyYRVVOMAVXFKOLM-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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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid (CID 113309539) is 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid is COCC(NC(=O)C1(CN)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid?
The InChIKey is YRVVOMAVXFKOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-17-6-8(9(14)15)13-10(16)11(7-12)4-2-3-5-11/h8H,2-7,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid?
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic 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 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 113309539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).