3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid

C12H24N2O3 — CID 81068960

IUPAC3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid
SMILESCC(C)CCN(C)C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-9(2)5-6-14(4)12(17)13-8-10(3)7-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyBAEGTNXRILNOTJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.78
Rot. Bonds7

About 3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid

3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid (PubChem CID 81068960) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid
PubChem CID81068960
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid
SMILESCC(C)CCN(C)C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-9(2)5-6-14(4)12(17)13-8-10(3)7-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyBAEGTNXRILNOTJ-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.78
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
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
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069914
4-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 81069035
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069071
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
CID 115164617
4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
4-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 114950925
3-methyl-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 112662992
(2S)-2-[[methyl(3-methylbutyl)carbamoyl]amino]pentanedioic acid
CID 61429121

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid (CID 81068960) is 3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid is CC(C)CCN(C)C(=O)NCC(C)CC(=O)O.
What is the InChIKey of 3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid?
The InChIKey is BAEGTNXRILNOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)5-6-14(4)12(17)13-8-10(3)7-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid?
3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 81068960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).