2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid

C9H14N2O2 — CID 115127877

IUPAC2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid
SMILESCN(c1ccc[nH]1)C(C)(C)C(=O)O
InChIInChI=1S/C9H14N2O2/c1-9(2,8(12)13)11(3)7-5-4-6-10-7/h4-6,10H,1-3H3,(H,12,13)
InChIKeySYGKYDYVDHITPP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.31
Rot. Bonds3

About 2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid

2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid (PubChem CID 115127877) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid
PubChem CID115127877
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid
SMILESCN(c1ccc[nH]1)C(C)(C)C(=O)O
InChIInChI=1S/C9H14N2O2/c1-9(2,8(12)13)11(3)7-5-4-6-10-7/h4-6,10H,1-3H3,(H,12,13)
InChIKeySYGKYDYVDHITPP-UHFFFAOYSA-N
XLogP1.31
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-4-[methyl(1H-pyrrol-2-yl)amino]butanoic acid
CID 115220280
(2R)-2-amino-2-(1H-pyrrol-2-yl)propanoic acid
CID 130971072
3-[methyl(1H-pyrrol-2-yl)amino]-3-oxopropanoic acid
CID 115163315
4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide
CID 115156967
3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid
CID 116907990
(E)-4-[methyl(1H-pyrrol-2-yl)amino]but-2-enoic acid
CID 115237006
2-(4-cyano-N-methylanilino)-2-methylpropanoic acid
CID 62819086
3-methyl-4-[methyl(1H-pyrrol-2-yl)amino]butanoic acid
CID 115219832
N-methyl-4-oxo-N-(1H-pyrrol-2-yl)pentanamide
CID 115176799
methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate
CID 70281652
2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid
CID 62818911
2,2-dimethyl-4-[methyl(1H-pyrrol-2-ylmethyl)amino]-4-oxobutanoic acid
CID 115165275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid (CID 115127877) is 2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid is CN(c1ccc[nH]1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid?
The InChIKey is SYGKYDYVDHITPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,8(12)13)11(3)7-5-4-6-10-7/h4-6,10H,1-3H3,(H,12,13).
What are the key properties of 2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid?
2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid is sourced from PubChem (CID 115127877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).