4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid

C12H22N2O3 — CID 81069071

IUPAC4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)N(C)CC1CCC1)CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-9(6-11(15)16)7-13-12(17)14(2)8-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyHXVMHCYFMNJKOY-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.54
Rot. Bonds6

About 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid

4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 81069071) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID81069071
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)N(C)CC1CCC1)CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-9(6-11(15)16)7-13-12(17)14(2)8-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyHXVMHCYFMNJKOY-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 81069762
5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965595
2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223235
3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid
CID 81068960
3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid
CID 81069981
3-methyl-4-[[methyl(propan-2-yl)carbamoyl]amino]butanoic acid
CID 81072394
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756889
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
(2S,3S)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 62854240
(2R)-4-amino-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827597
3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 63707561

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid (CID 81069071) is 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid is CC(CNC(=O)N(C)CC1CCC1)CC(=O)O.
What is the InChIKey of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is HXVMHCYFMNJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(6-11(15)16)7-13-12(17)14(2)8-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid?
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 81069071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).