2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid

C10H16N2O4 — CID 103977737

IUPAC2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(N)=O)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C10H16N2O4/c1-12(5-8(11)13)9(14)6-3-2-4-7(6)10(15)16/h6-7H,2-5H2,1H3,(H2,11,13)(H,15,16)
InChIKeyANKIQBHHOJHPAU-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.57
Rot. Bonds4

About 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid

2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103977737) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103977737
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(N)=O)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C10H16N2O4/c1-12(5-8(11)13)9(14)6-3-2-4-7(6)10(15)16/h6-7H,2-5H2,1H3,(H2,11,13)(H,15,16)
InChIKeyANKIQBHHOJHPAU-UHFFFAOYSA-N
XLogP-0.57
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103977737) is 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid is CN(CC(N)=O)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ANKIQBHHOJHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-12(5-8(11)13)9(14)6-3-2-4-7(6)10(15)16/h6-7H,2-5H2,1H3,(H2,11,13)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103977737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).