2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid

C10H19NO4 — CID 22627126

IUPAC2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid
SMILESCNCC(C(=O)O)C(CC(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-6(2)4-7(9(12)13)8(5-11-3)10(14)15/h6-8,11H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyIYWPXDHOZZACLP-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.65
Rot. Bonds7

About 2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid

2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid (PubChem CID 22627126) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid.

Molecular Properties

Compound Name2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid
PubChem CID22627126
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid
SMILESCNCC(C(=O)O)C(CC(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-6(2)4-7(9(12)13)8(5-11-3)10(14)15/h6-8,11H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyIYWPXDHOZZACLP-UHFFFAOYSA-N
XLogP0.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
CID 79202207
(2S,3S)-3-(C,N-dimethylcarbonimidoyl)-5-methyl-2-(2-methylpropyl)hexanoic acid
CID 144957620
fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid
CID 59060134
(2S)-4-methyl-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pentanoic acid
CID 124634079
4-O-benzyl 1-O-tert-butyl 3-(methylaminomethyl)-2-(2-methylpropyl)butanedioate
CID 54031190
(3R)-5-methyl-3-(methylaminomethyl)-N-oxohexanamide
CID 144507791
4-amino-2-methyl-5-(methylamino)pentanoic acid
CID 142843506
(2S,4R,5R)-4,5,7-trimethyl-2-propan-2-yloctanoic acid
CID 56628753
N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
(2S)-N,2,4-trimethylpentan-1-amine
CID 90327710
(2S)-3-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]butanoic acid
CID 79202638
(2R)-4-methyl-2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentanoic acid
CID 129251365

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid?
The IUPAC name of 2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid (CID 22627126) is 2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid.
What is the SMILES notation for 2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid?
The canonical SMILES for 2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid is CNCC(C(=O)O)C(CC(C)C)C(=O)O.
What is the InChIKey of 2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid?
The InChIKey is IYWPXDHOZZACLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(2)4-7(9(12)13)8(5-11-3)10(14)15/h6-8,11H,4-5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid?
2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid has a molecular weight of 217.26 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid is sourced from PubChem (CID 22627126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).