(2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol

C11H22N2O2 — CID 61142980

IUPAC(2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol
SMILESOC[C@@H](O)CNCC1CCN(C2CC2)C1
InChIInChI=1S/C11H22N2O2/c14-8-11(15)6-12-5-9-3-4-13(7-9)10-1-2-10/h9-12,14-15H,1-8H2/t9?,11-/m0/s1
InChIKeyMECQBVSWXHESQY-UMJHXOGRSA-N
MW214.31 g/mol
LogP-0.59
Rot. Bonds6

About (2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol

(2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol (PubChem CID 61142980) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol
PubChem CID61142980
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol
SMILESOC[C@@H](O)CNCC1CCN(C2CC2)C1
InChIInChI=1S/C11H22N2O2/c14-8-11(15)6-12-5-9-3-4-13(7-9)10-1-2-10/h9-12,14-15H,1-8H2/t9?,11-/m0/s1
InChIKeyMECQBVSWXHESQY-UMJHXOGRSA-N
XLogP-0.59
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol
CID 68447979
(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride
CID 68538859
(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 68538860
(3R,4S)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 68543064
(3R,4S)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride
CID 68546322
(3S,4S)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 69307424
(3R,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 69322105
(3S,4S)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride
CID 71001806
3-[(Cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 77511569
4-(Aminomethyl)-1-isopropylpyrrolidin-3-ol
CID 83845743
(3R,4S)-4-[(cyclopropylamino)methyl]pyrrolidin-3-ol
CID 89123059
4-[(Cyclopropylamino)methyl]pyrrolidin-3-ol
CID 89573850

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol?
The IUPAC name of (2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol (CID 61142980) is (2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol is OC[C@@H](O)CNCC1CCN(C2CC2)C1.
What is the InChIKey of (2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol?
The InChIKey is MECQBVSWXHESQY-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H22N2O2/c14-8-11(15)6-12-5-9-3-4-13(7-9)10-1-2-10/h9-12,14-15H,1-8H2/t9?,11-/m0/s1.
What are the key properties of (2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol?
(2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol has a molecular weight of 214.31 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 61142980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).