(2S)-2-(pyrrolidin-3-ylamino)butan-1-ol

C8H18N2O — CID 104980875

IUPAC(2S)-2-(pyrrolidin-3-ylamino)butan-1-ol
SMILESCC[C@@H](CO)NC1CCNC1
InChIInChI=1S/C8H18N2O/c1-2-7(6-11)10-8-3-4-9-5-8/h7-11H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyXUZBUNDUYLYKCM-JAMMHHFISA-N
MW158.24 g/mol
LogP-0.29
Rot. Bonds4

About (2S)-2-(pyrrolidin-3-ylamino)butan-1-ol

(2S)-2-(pyrrolidin-3-ylamino)butan-1-ol (PubChem CID 104980875) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S)-2-(pyrrolidin-3-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(pyrrolidin-3-ylamino)butan-1-ol
PubChem CID104980875
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(2S)-2-(pyrrolidin-3-ylamino)butan-1-ol
SMILESCC[C@@H](CO)NC1CCNC1
InChIInChI=1S/C8H18N2O/c1-2-7(6-11)10-8-3-4-9-5-8/h7-11H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyXUZBUNDUYLYKCM-JAMMHHFISA-N
XLogP-0.29
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79724018
(2S)-2-(piperidin-3-ylamino)butan-1-ol
CID 104980396
(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79742166
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
2-(pyrrolidin-3-ylamino)propanoic acid
CID 66810239
(2R)-3-phenyl-2-(piperidin-3-ylamino)propan-1-ol
CID 107860804
(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
CID 124576040
2-[(1-cyclopropylpyrrolidin-3-yl)amino]butan-1-ol
CID 62981103
(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
CID 28724606

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pyrrolidin-3-ylamino)butan-1-ol?
The IUPAC name of (2S)-2-(pyrrolidin-3-ylamino)butan-1-ol (CID 104980875) is (2S)-2-(pyrrolidin-3-ylamino)butan-1-ol.
What is the SMILES notation for (2S)-2-(pyrrolidin-3-ylamino)butan-1-ol?
The canonical SMILES for (2S)-2-(pyrrolidin-3-ylamino)butan-1-ol is CC[C@@H](CO)NC1CCNC1.
What is the InChIKey of (2S)-2-(pyrrolidin-3-ylamino)butan-1-ol?
The InChIKey is XUZBUNDUYLYKCM-JAMMHHFISA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-7(6-11)10-8-3-4-9-5-8/h7-11H,2-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of (2S)-2-(pyrrolidin-3-ylamino)butan-1-ol?
(2S)-2-(pyrrolidin-3-ylamino)butan-1-ol has a molecular weight of 158.24 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pyrrolidin-3-ylamino)butan-1-ol is sourced from PubChem (CID 104980875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).