(2S)-2-amino-2-propylbutane-1,4-diol

C7H17NO2 — CID 174635362

IUPAC(2S)-2-amino-2-propylbutane-1,4-diol
SMILESCCC[C@@](N)(CO)CCO
InChIInChI=1S/C7H17NO2/c1-2-3-7(8,6-10)4-5-9/h9-10H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyQWWRVQHYGVNRIH-ZETCQYMHSA-N
MW147.22 g/mol
LogP-0.14
Rot. Bonds5

About (2S)-2-amino-2-propylbutane-1,4-diol

(2S)-2-amino-2-propylbutane-1,4-diol (PubChem CID 174635362) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2S)-2-amino-2-propylbutane-1,4-diol.

Molecular Properties

Compound Name(2S)-2-amino-2-propylbutane-1,4-diol
PubChem CID174635362
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2S)-2-amino-2-propylbutane-1,4-diol
SMILESCCC[C@@](N)(CO)CCO
InChIInChI=1S/C7H17NO2/c1-2-3-7(8,6-10)4-5-9/h9-10H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyQWWRVQHYGVNRIH-ZETCQYMHSA-N
XLogP-0.14
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-propylpentadecan-1-ol
CID 87201203
3-amino-3-hexadecylpentane-1,5-diol;hydrochloride
CID 173408839
3-amino-3-octadecylpentane-1,5-diol;hydrochloride
CID 173050553
2-amino-2-octadecylpropane-1,3-diol
CID 10712432
2-amino-2-pentadecylpropane-1,3-diol
CID 10266875
azane;3-ethylhexan-3-amine
CID 18676269
3-amino-3-ethylpentan-1-ol;formic acid
CID 173452352
acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
CID 173173099
2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
CID 87201189
3-(aminomethyl)-3-propylhexan-1-ol
CID 66092129
3-aminoheptane-1,3-diol
CID 154296556
3-amino-3-(chloromethyl)pentane-1,5-diol
CID 56976862

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-propylbutane-1,4-diol?
The IUPAC name of (2S)-2-amino-2-propylbutane-1,4-diol (CID 174635362) is (2S)-2-amino-2-propylbutane-1,4-diol.
What is the SMILES notation for (2S)-2-amino-2-propylbutane-1,4-diol?
The canonical SMILES for (2S)-2-amino-2-propylbutane-1,4-diol is CCC[C@@](N)(CO)CCO.
What is the InChIKey of (2S)-2-amino-2-propylbutane-1,4-diol?
The InChIKey is QWWRVQHYGVNRIH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO2/c1-2-3-7(8,6-10)4-5-9/h9-10H,2-6,8H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-propylbutane-1,4-diol?
(2S)-2-amino-2-propylbutane-1,4-diol has a molecular weight of 147.22 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-propylbutane-1,4-diol is sourced from PubChem (CID 174635362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).