2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid

C12H23N3O4 — CID 113407992

IUPAC2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid
SMILESCC(C)NC(=O)C(C)NC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-7(2)14-9(16)8(3)15-11(19)13-6-12(4,5)10(17)18/h7-8H,6H2,1-5H3,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyKIPSXNTYFCERMX-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.31
Rot. Bonds6

About 2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid

2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid (PubChem CID 113407992) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid
PubChem CID113407992
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid
SMILESCC(C)NC(=O)C(C)NC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-7(2)14-9(16)8(3)15-11(19)13-6-12(4,5)10(17)18/h7-8H,6H2,1-5H3,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyKIPSXNTYFCERMX-UHFFFAOYSA-N
XLogP0.31
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid with MolForge

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Related Compounds

3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid
CID 81369309
2,2-dimethyl-3-(2,2,3-trimethylbutylcarbamoylamino)propanoic acid
CID 114101334
2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide
CID 116657668
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
CID 78971835
1-(2-amino-2-methylpropyl)-3-propan-2-ylurea
CID 115303393
3-[1-(furan-2-yl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428423
2,2-dimethyl-3-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 115428682
(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid
CID 103463188
2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 115731634
2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
CID 79555921
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea
CID 90501184

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid (CID 113407992) is 2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid is CC(C)NC(=O)C(C)NC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid?
The InChIKey is KIPSXNTYFCERMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-7(2)14-9(16)8(3)15-11(19)13-6-12(4,5)10(17)18/h7-8H,6H2,1-5H3,(H,14,16)(H,17,18)(H2,13,15,19).
What are the key properties of 2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid?
2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 113407992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).