2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid

C11H18N4O5 — CID 107439195

IUPAC2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C11H18N4O5/c12-8(16)6-15(7-10(18)19)11(20)13-5-9(17)14-3-1-2-4-14/h1-7H2,(H2,12,16)(H,13,20)(H,18,19)
InChIKeyTYVQJLVZKPBPFB-UHFFFAOYSA-N
MW286.29 g/mol
LogP-1.81
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid (PubChem CID 107439195) has the molecular formula C11H18N4O5 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
PubChem CID107439195
Molecular FormulaC11H18N4O5
Molecular Weight286.29 g/mol
Exact Mass286.13
IUPAC Name2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C11H18N4O5/c12-8(16)6-15(7-10(18)19)11(20)13-5-9(17)14-3-1-2-4-14/h1-7H2,(H2,12,16)(H,13,20)(H,18,19)
InChIKeyTYVQJLVZKPBPFB-UHFFFAOYSA-N
XLogP-1.81
TPSA133.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 107438309
2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
CID 107438020
2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid
CID 107439464
4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 113406371
2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid
CID 107439389
1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea
CID 86964529
2-[carboxymethyl(3-pyrrolidin-1-ylpropylcarbamoyl)amino]acetic acid
CID 63646345
2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid
CID 107437429
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid
CID 83019576
2-[(2-amino-2-oxoethyl)-(thian-4-ylmethylcarbamoyl)amino]acetic acid
CID 107439301
2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid
CID 107434098

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid (CID 107439195) is 2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid?
The InChIKey is TYVQJLVZKPBPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5/c12-8(16)6-15(7-10(18)19)11(20)13-5-9(17)14-3-1-2-4-14/h1-7H2,(H2,12,16)(H,13,20)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid has a molecular weight of 286.29 g/mol, XLogP of -1.81, 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)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107439195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).