2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid

C8H14N4O5 — CID 107438020

IUPAC2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
SMILESNC(=O)CCNC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H14N4O5/c9-5(13)1-2-11-8(17)12(3-6(10)14)4-7(15)16/h1-4H2,(H2,9,13)(H2,10,14)(H,11,17)(H,15,16)
InChIKeyXTZCWBJOQJCTRF-UHFFFAOYSA-N
MW246.22 g/mol
LogP-2.56
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid (PubChem CID 107438020) has the molecular formula C8H14N4O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
PubChem CID107438020
Molecular FormulaC8H14N4O5
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC Name2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
SMILESNC(=O)CCNC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H14N4O5/c9-5(13)1-2-11-8(17)12(3-6(10)14)4-7(15)16/h1-4H2,(H2,9,13)(H2,10,14)(H,11,17)(H,15,16)
InChIKeyXTZCWBJOQJCTRF-UHFFFAOYSA-N
XLogP-2.56
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-2.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
CID 107438506
2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid
CID 61201518
5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid
CID 103103549
2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid
CID 107439464
2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid
CID 107439389
2-[(4-amino-4-oxobutyl)carbamoyl-methylamino]acetic acid
CID 60862900
2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid
CID 114169808
2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 107439195
2-[(2-amino-2-oxoethyl)-(thian-4-ylmethylcarbamoyl)amino]acetic acid
CID 107439301
2-[(2-amino-2-oxoethyl)-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]amino]acetic acid
CID 107438866
5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 82013638

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid (CID 107438020) is 2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid is NC(=O)CCNC(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid?
The InChIKey is XTZCWBJOQJCTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O5/c9-5(13)1-2-11-8(17)12(3-6(10)14)4-7(15)16/h1-4H2,(H2,9,13)(H2,10,14)(H,11,17)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid has a molecular weight of 246.22 g/mol, XLogP of -2.56, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).