4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid

C13H22N2O4 — CID 66002836

IUPAC4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)N(CC1CC1)C1CC1)CC(=O)O
InChIInChI=1S/C13H22N2O4/c1-13(19,6-11(16)17)8-14-12(18)15(10-4-5-10)7-9-2-3-9/h9-10,19H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyUDONWMHLXFPCFQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.80
Rot. Bonds7

About 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid

4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66002836) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66002836
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)N(CC1CC1)C1CC1)CC(=O)O
InChIInChI=1S/C13H22N2O4/c1-13(19,6-11(16)17)8-14-12(18)15(10-4-5-10)7-9-2-3-9/h9-10,19H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyUDONWMHLXFPCFQ-UHFFFAOYSA-N
XLogP0.80
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001609
4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002994
3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 66003598
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 64520201
3-hydroxy-3-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 66002435
3-hydroxy-3-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 66003800
4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 103162007
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 79527583
4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001198
3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
CID 61209232
3-hydroxy-3-methyl-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 79319597
3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069382

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid (CID 66002836) is 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)N(CC1CC1)C1CC1)CC(=O)O.
What is the InChIKey of 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is UDONWMHLXFPCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(19,6-11(16)17)8-14-12(18)15(10-4-5-10)7-9-2-3-9/h9-10,19H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid?
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66002836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).