(3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride

C9H17ClN2O — CID 171240212

IUPAC(3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@H](N)c1ccc[nH]1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-9(2,6-12)8(10)7-4-3-5-11-7;/h3-5,8,11-12H,6,10H2,1-2H3;1H/t8-;/m1./s1
InChIKeyPPZXRGCCLYACLA-DDWIOCJRSA-N
MW204.70 g/mol
LogP1.45
Rot. Bonds3

About (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride

(3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride (PubChem CID 171240212) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride
PubChem CID171240212
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name(3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@H](N)c1ccc[nH]1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-9(2,6-12)8(10)7-4-3-5-11-7;/h3-5,8,11-12H,6,10H2,1-2H3;1H/t8-;/m1./s1
InChIKeyPPZXRGCCLYACLA-DDWIOCJRSA-N
XLogP1.45
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride
CID 171246640
(3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol
CID 131399130
(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204
methyl (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoate
CID 171240203
3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine
CID 130882676
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol
CID 131376130
(3R)-3-amino-3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171245495
(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride
CID 171221255
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluorophenol;hydrochloride
CID 171245849
3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol
CID 63748383

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride (CID 171240212) is (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride is CC(C)(CO)[C@H](N)c1ccc[nH]1.Cl.
What is the InChIKey of (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride?
The InChIKey is PPZXRGCCLYACLA-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-9(2,6-12)8(10)7-4-3-5-11-7;/h3-5,8,11-12H,6,10H2,1-2H3;1H/t8-;/m1./s1.
What are the key properties of (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride?
(3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171240212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).