2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid

C12H19N3O5 — CID 61069310

IUPAC2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESNC(=O)CNC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H19N3O5/c13-8(16)7-14-11(20)15-9(17)5-12(6-10(18)19)3-1-2-4-12/h1-7H2,(H2,13,16)(H,18,19)(H2,14,15,17,20)
InChIKeyVSHUJEAVCDUQFZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.28
Rot. Bonds6

About 2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61069310) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61069310
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESNC(=O)CNC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H19N3O5/c13-8(16)7-14-11(20)15-9(17)5-12(6-10(18)19)3-1-2-4-12/h1-7H2,(H2,13,16)(H,18,19)(H2,14,15,17,20)
InChIKeyVSHUJEAVCDUQFZ-UHFFFAOYSA-N
XLogP-0.28
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61069310) is 2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid is NC(=O)CNC(=O)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is VSHUJEAVCDUQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c13-8(16)7-14-11(20)15-9(17)5-12(6-10(18)19)3-1-2-4-12/h1-7H2,(H2,13,16)(H,18,19)(H2,14,15,17,20).
What are the key properties of 2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of -0.28, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-amino-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).