2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol

C9H19NO2 — CID 96980281

IUPAC2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol
SMILESC[C@H]1CCC[C@H]1NC(CO)CO
InChIInChI=1S/C9H19NO2/c1-7-3-2-4-9(7)10-8(5-11)6-12/h7-12H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyBITZGJKNDBMTDV-IONNQARKSA-N
MW173.26 g/mol
LogP0.12
Rot. Bonds4

About 2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol

2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol (PubChem CID 96980281) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol
PubChem CID96980281
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol
SMILESC[C@H]1CCC[C@H]1NC(CO)CO
InChIInChI=1S/C9H19NO2/c1-7-3-2-4-9(7)10-8(5-11)6-12/h7-12H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyBITZGJKNDBMTDV-IONNQARKSA-N
XLogP0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S,2R)-2-methylcyclohexyl]amino]propane-1,3-diol
CID 96980097
4-methyl-2-[(2-methylcyclopentyl)amino]pentan-1-ol
CID 65045844
(2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol
CID 124526620
2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
CID 64773964
N-heptan-4-yl-2-methylcyclopentan-1-amine
CID 63277449
N-heptan-4-yl-2-methylcyclohexan-1-amine
CID 43097186
(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol
CID 104980900
2-[[(1R,2R)-2-ethylcyclohexyl]amino]propane-1,3-diol
CID 96980456
2-methyl-N-(5-methylheptan-3-yl)cyclopentan-1-amine
CID 63277446
2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 60713643
trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 102733097
(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 102613768

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol?
The IUPAC name of 2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol (CID 96980281) is 2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol is C[C@H]1CCC[C@H]1NC(CO)CO.
What is the InChIKey of 2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol?
The InChIKey is BITZGJKNDBMTDV-IONNQARKSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7-3-2-4-9(7)10-8(5-11)6-12/h7-12H,2-6H2,1H3/t7-,9+/m0/s1.
What are the key properties of 2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol?
2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol has a molecular weight of 173.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol is sourced from PubChem (CID 96980281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).