3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid

C10H21N3O3 — CID 81069981

IUPAC3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid
SMILESCNCCN(C)C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C10H21N3O3/c1-8(6-9(14)15)7-12-10(16)13(3)5-4-11-2/h8,11H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyQMXWRSVRABZNSC-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.04
Rot. Bonds7

About 3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid

3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid (PubChem CID 81069981) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid
PubChem CID81069981
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid
SMILESCNCCN(C)C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C10H21N3O3/c1-8(6-9(14)15)7-12-10(16)13(3)5-4-11-2/h8,11H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyQMXWRSVRABZNSC-UHFFFAOYSA-N
XLogP-0.04
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid
CID 81068960
3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 81069762
3-methyl-4-[[methyl(propan-2-yl)carbamoyl]amino]butanoic acid
CID 81072394
2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65226283
4-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 81069035
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069071
2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid
CID 104686710
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143
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
2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid
CID 115428852
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069914

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid?
The IUPAC name of 3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid (CID 81069981) is 3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid is CNCCN(C)C(=O)NCC(C)CC(=O)O.
What is the InChIKey of 3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid?
The InChIKey is QMXWRSVRABZNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-8(6-9(14)15)7-12-10(16)13(3)5-4-11-2/h8,11H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid?
3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid has a molecular weight of 231.30 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 81069981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).