3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid

C9H17NO2 — CID 103264016

IUPAC3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid
SMILESCC(C)C(NC1(C)CC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)7(8(11)12)10-9(3)4-5-9/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyDEPMNIXFGAHYHT-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds4

About 3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid

3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid (PubChem CID 103264016) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid
PubChem CID103264016
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid
SMILESCC(C)C(NC1(C)CC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)7(8(11)12)10-9(3)4-5-9/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyDEPMNIXFGAHYHT-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid
CID 103264847
3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid
CID 103244876
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
2-methyl-3-[(1-methylcyclohexyl)amino]butanoic acid
CID 103718946
2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid
CID 80704929
(2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 107000447
3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid
CID 103263977
(2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid
CID 175796269
(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid
CID 104865758
2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid
CID 103265266
3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid
CID 175398948

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid (CID 103264016) is 3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid is CC(C)C(NC1(C)CC1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid?
The InChIKey is DEPMNIXFGAHYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)7(8(11)12)10-9(3)4-5-9/h6-7,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid?
3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid is sourced from PubChem (CID 103264016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).