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

C10H19N3O4 — CID 54955611

IUPAC3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
SMILESCNC(=O)C(C)NC(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C10H19N3O4/c1-5(2)7(9(15)16)13-10(17)12-6(3)8(14)11-4/h5-7H,1-4H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeySQKDFOCPZOCXGA-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.47
Rot. Bonds5

About 3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid

3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid (PubChem CID 54955611) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
PubChem CID54955611
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
SMILESCNC(=O)C(C)NC(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C10H19N3O4/c1-5(2)7(9(15)16)13-10(17)12-6(3)8(14)11-4/h5-7H,1-4H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeySQKDFOCPZOCXGA-UHFFFAOYSA-N
XLogP-0.47
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-3-methylbutanoic acid
CID 54959008
(2S)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 61203178
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566458
2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 54955762
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 107145683
3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 61198782
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2S)-2-(2-carboxypropanoylamino)-3-methylbutanoic acid
CID 122065069
2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid
CID 61465806
3-methyl-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 24703795
2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoic acid
CID 71336736
(2S)-3-methyl-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoylamino]butanoic acid
CID 46900799

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid?
The IUPAC name of 3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid (CID 54955611) is 3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid is CNC(=O)C(C)NC(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid?
The InChIKey is SQKDFOCPZOCXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-5(2)7(9(15)16)13-10(17)12-6(3)8(14)11-4/h5-7H,1-4H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid?
3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.47, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid is sourced from PubChem (CID 54955611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).