2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid

C9H17N3O4 — CID 61465806

IUPAC2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid
SMILESCNC(=O)C(C)NC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-5(6(13)10-4)11-8(16)12-9(2,3)7(14)15/h5H,1-4H3,(H,10,13)(H,14,15)(H2,11,12,16)
InChIKeyQNVMZBJDQPPZFW-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.72
Rot. Bonds4

About 2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid

2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid (PubChem CID 61465806) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid
PubChem CID61465806
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid
SMILESCNC(=O)C(C)NC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-5(6(13)10-4)11-8(16)12-9(2,3)7(14)15/h5H,1-4H3,(H,10,13)(H,14,15)(H2,11,12,16)
InChIKeyQNVMZBJDQPPZFW-UHFFFAOYSA-N
XLogP-0.72
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
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-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 79804484
3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 54955611
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 82939623
ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
CID 142311120
2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide
CID 116657668
2-fluoro-2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 130683456
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid
CID 54958910
2-methyl-2-(2-sulfanylpropanoylamino)propanoic acid
CID 89140497
2-(2-bromopropanoylamino)-2-methylpropanoic acid
CID 22253670
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 62232320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid (CID 61465806) is 2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid is CNC(=O)C(C)NC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid?
The InChIKey is QNVMZBJDQPPZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-5(6(13)10-4)11-8(16)12-9(2,3)7(14)15/h5H,1-4H3,(H,10,13)(H,14,15)(H2,11,12,16).
What are the key properties of 2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid?
2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.72, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 61465806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).