2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid

C9H17N3O4 — CID 16785652

IUPAC2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
SMILESCC(C)NC(=O)CNC(=O)NC(C)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-5(2)11-7(13)4-10-9(16)12-6(3)8(14)15/h5-6H,4H2,1-3H3,(H,11,13)(H,14,15)(H2,10,12,16)
InChIKeyVBRBMBJXOMBAFV-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.72
Rot. Bonds5

About 2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid

2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid (PubChem CID 16785652) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
PubChem CID16785652
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
SMILESCC(C)NC(=O)CNC(=O)NC(C)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-5(2)11-7(13)4-10-9(16)12-6(3)8(14)15/h5-6H,4H2,1-3H3,(H,11,13)(H,14,15)(H2,10,12,16)
InChIKeyVBRBMBJXOMBAFV-UHFFFAOYSA-N
XLogP-0.72
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61201929
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]pentanoic acid
CID 61201554
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
2-(hydrazinecarbonylamino)-N-propan-2-ylacetamide;hydrochloride
CID 146675439
2-[[2-(azepan-1-yl)-2-oxoethyl]carbamoylamino]propanoic acid
CID 43823825
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 171100444
2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid
CID 103496290
2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid
CID 43170816
(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119238547
3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 79801337

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid (CID 16785652) is 2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid is CC(C)NC(=O)CNC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid?
The InChIKey is VBRBMBJXOMBAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-5(2)11-7(13)4-10-9(16)12-6(3)8(14)15/h5-6H,4H2,1-3H3,(H,11,13)(H,14,15)(H2,10,12,16).
What are the key properties of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid?
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.72, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 16785652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).