2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid

C12H20N4O4 — CID 107438508

IUPAC2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C12H20N4O4/c13-10(17)6-16(7-11(18)19)12(20)14-8-3-4-15(5-8)9-1-2-9/h8-9H,1-7H2,(H2,13,17)(H,14,20)(H,18,19)
InChIKeyOOWUMWCFKHMATM-UHFFFAOYSA-N
MW284.32 g/mol
LogP-1.20
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 107438508) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID107438508
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C12H20N4O4/c13-10(17)6-16(7-11(18)19)12(20)14-8-3-4-15(5-8)9-1-2-9/h8-9H,1-7H2,(H2,13,17)(H,14,20)(H,18,19)
InChIKeyOOWUMWCFKHMATM-UHFFFAOYSA-N
XLogP-1.20
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid (CID 107438508) is 2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)NC1CCN(C2CC2)C1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is OOWUMWCFKHMATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c13-10(17)6-16(7-11(18)19)12(20)14-8-3-4-15(5-8)9-1-2-9/h8-9H,1-7H2,(H2,13,17)(H,14,20)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 284.32 g/mol, XLogP of -1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).