2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid

C14H24N2O2 — CID 79620778

IUPAC2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid
SMILESCC(C)CNCc1ccn(CC(C)(C)C(=O)O)c1
InChIInChI=1S/C14H24N2O2/c1-11(2)7-15-8-12-5-6-16(9-12)10-14(3,4)13(17)18/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyIUIXBXQQWRWWFA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.34
Rot. Bonds7

About 2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid

2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid (PubChem CID 79620778) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid
PubChem CID79620778
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid
SMILESCC(C)CNCc1ccn(CC(C)(C)C(=O)O)c1
InChIInChI=1S/C14H24N2O2/c1-11(2)7-15-8-12-5-6-16(9-12)10-14(3,4)13(17)18/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyIUIXBXQQWRWWFA-UHFFFAOYSA-N
XLogP2.34
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66404402
N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide
CID 66406621
N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 66404189
2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66406832
2,2-dimethyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanenitrile
CID 66404601
2,2-dimethyl-6-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]hexanenitrile
CID 106713558
N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66405210
ethyl 6-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]hexanoate
CID 66405802
3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
CID 106171023
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 107913087
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 103181735

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid (CID 79620778) is 2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid is CC(C)CNCc1ccn(CC(C)(C)C(=O)O)c1.
What is the InChIKey of 2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid?
The InChIKey is IUIXBXQQWRWWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)7-15-8-12-5-6-16(9-12)10-14(3,4)13(17)18/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,17,18).
What are the key properties of 2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid?
2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid has a molecular weight of 252.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid is sourced from PubChem (CID 79620778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).