3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid

C5H8N2O4 — CID 62230553

IUPAC3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid
SMILESNC(=O)CNC(=O)CC(=O)O
InChIInChI=1S/C5H8N2O4/c6-3(8)2-7-4(9)1-5(10)11/h1-2H2,(H2,6,8)(H,7,9)(H,10,11)
InChIKeyQMWPWYKVRUTRIC-UHFFFAOYSA-N
MW160.13 g/mol
LogP-1.94
Rot. Bonds4

About 3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid

3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid (PubChem CID 62230553) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid
PubChem CID62230553
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid
SMILESNC(=O)CNC(=O)CC(=O)O
InChIInChI=1S/C5H8N2O4/c6-3(8)2-7-4(9)1-5(10)11/h1-2H2,(H2,6,8)(H,7,9)(H,10,11)
InChIKeyQMWPWYKVRUTRIC-UHFFFAOYSA-N
XLogP-1.94
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573216
2-[(2-chloroacetyl)amino]acetamide
CID 28605345
5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966422
ethane;2-[[2-(methylamino)acetyl]amino]acetamide
CID 168928174
4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid
CID 86108729
2-[[2-(dimethylamino)acetyl]amino]acetamide
CID 14799394
3-amino-3-oxopropanoic acid;sulfane
CID 175305648
N-(2-amino-2-oxoethyl)pentanamide
CID 12878232
3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949739
N-(2-amino-2-oxoethyl)-4-fluorobutanamide
CID 57129132
2-[(2-amino-2-oxoethyl)amino]acetic acid
CID 87871803
3-(carbamoylamino)-3-oxopropanoic acid
CID 10290858

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid (CID 62230553) is 3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid is NC(=O)CNC(=O)CC(=O)O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid?
The InChIKey is QMWPWYKVRUTRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4/c6-3(8)2-7-4(9)1-5(10)11/h1-2H2,(H2,6,8)(H,7,9)(H,10,11).
What are the key properties of 3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid?
3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid has a molecular weight of 160.13 g/mol, XLogP of -1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 62230553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).