[(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol

C6H15N2OP — CID 143159584

IUPAC[(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CNC[C@H]1CNP
InChIInChI=1S/C6H15N2OP/c9-4-6-2-7-1-5(6)3-8-10/h5-9H,1-4,10H2/t5-,6?/m0/s1
InChIKeyWEKCUTGQCCFVBG-ZBHICJROSA-N
MW162.17 g/mol
LogP-0.81
Rot. Bonds3

About [(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol

[(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol (PubChem CID 143159584) has the molecular formula C6H15N2OP and a molecular weight of 162.17 g/mol. Its IUPAC name is [(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol
PubChem CID143159584
Molecular FormulaC6H15N2OP
Molecular Weight162.17 g/mol
Exact Mass162.09
IUPAC Name[(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CNC[C@H]1CNP
InChIInChI=1S/C6H15N2OP/c9-4-6-2-7-1-5(6)3-8-10/h5-9H,1-4,10H2/t5-,6?/m0/s1
InChIKeyWEKCUTGQCCFVBG-ZBHICJROSA-N
XLogP-0.81
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(3S,4S)-4-aminopyrrolidin-3-yl]methanol
CID 10866309
[(3S,4S)-4-cyclopropylpyrrolidin-3-yl]methanol
CID 129408049
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 121229170
(4-methylpyrrolidin-3-yl)methanol
CID 23396990
[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 157146152
2-(1-adamantyl)-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]acetamide
CID 133118988
(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
CID 159190224
[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol
CID 136589503
(3S,4R,5S)-5-(hydroxymethyl)piperidine-3,4-diol
CID 10510991
[(3S,4S)-4-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 70306574
(3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol
CID 101020792
(3R,4S,5R,6R)-6-(hydroxymethyl)azepane-3,4,5-triol;hydrochloride
CID 56949706

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol (CID 143159584) is [(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol is OCC1CNC[C@H]1CNP.
What is the InChIKey of [(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is WEKCUTGQCCFVBG-ZBHICJROSA-N. The full InChI is InChI=1S/C6H15N2OP/c9-4-6-2-7-1-5(6)3-8-10/h5-9H,1-4,10H2/t5-,6?/m0/s1.
What are the key properties of [(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol?
[(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 162.17 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 143159584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).