2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid

C10H17N3O4 — CID 61187823

IUPAC2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid
SMILESNC(=O)CNC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C10H17N3O4/c11-8(14)5-12-10(17)13(6-9(15)16)7-3-1-2-4-7/h7H,1-6H2,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyQERBLDXRGDFTKQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.49
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid

2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid (PubChem CID 61187823) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid
PubChem CID61187823
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid
SMILESNC(=O)CNC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C10H17N3O4/c11-8(14)5-12-10(17)13(6-9(15)16)7-3-1-2-4-7/h7H,1-6H2,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyQERBLDXRGDFTKQ-UHFFFAOYSA-N
XLogP-0.49
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid (CID 61187823) is 2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid is NC(=O)CNC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid?
The InChIKey is QERBLDXRGDFTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c11-8(14)5-12-10(17)13(6-9(15)16)7-3-1-2-4-7/h7H,1-6H2,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid?
2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)carbamoyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 61187823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).