(2S,3R)-2-amino-3-propylbutane-1,4-diol

C7H17NO2 — CID 10820698

IUPAC(2S,3R)-2-amino-3-propylbutane-1,4-diol
SMILESCCC[C@@H](CO)[C@H](N)CO
InChIInChI=1S/C7H17NO2/c1-2-3-6(4-9)7(8)5-10/h6-7,9-10H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyYVRIJTWZKHKAKH-NKWVEPMBSA-N
MW147.22 g/mol
LogP-0.29
Rot. Bonds5

About (2S,3R)-2-amino-3-propylbutane-1,4-diol

(2S,3R)-2-amino-3-propylbutane-1,4-diol (PubChem CID 10820698) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-propylbutane-1,4-diol.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-propylbutane-1,4-diol
PubChem CID10820698
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2S,3R)-2-amino-3-propylbutane-1,4-diol
SMILESCCC[C@@H](CO)[C@H](N)CO
InChIInChI=1S/C7H17NO2/c1-2-3-6(4-9)7(8)5-10/h6-7,9-10H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyYVRIJTWZKHKAKH-NKWVEPMBSA-N
XLogP-0.29
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 ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-propylhexan-1-ol
CID 154703433
2-[(1R)-1-aminoethyl]pentan-1-ol
CID 163501333
(2R,3R)-3-amino-2-ethylhexan-1-ol
CID 11126400
(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride
CID 176655743
2-butyl-3-propylbutane-1,4-diol
CID 87266771
2-amino-4-methylheptane-1,3-diol
CID 66204531
4-methyl-2-propylpentane-1,3-diol
CID 176549638
(4R,5R)-octane-4,5-diamine
CID 13138963
3-methylidene-6-propylnonan-5-amine
CID 105006117
1-amino-2-butylpropane-1,3-diol
CID 174805144
(2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol
CID 46237758
4,5-diaminooctan-1-ol
CID 87063615

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-propylbutane-1,4-diol?
The IUPAC name of (2S,3R)-2-amino-3-propylbutane-1,4-diol (CID 10820698) is (2S,3R)-2-amino-3-propylbutane-1,4-diol.
What is the SMILES notation for (2S,3R)-2-amino-3-propylbutane-1,4-diol?
The canonical SMILES for (2S,3R)-2-amino-3-propylbutane-1,4-diol is CCC[C@@H](CO)[C@H](N)CO.
What is the InChIKey of (2S,3R)-2-amino-3-propylbutane-1,4-diol?
The InChIKey is YVRIJTWZKHKAKH-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H17NO2/c1-2-3-6(4-9)7(8)5-10/h6-7,9-10H,2-5,8H2,1H3/t6-,7+/m0/s1.
What are the key properties of (2S,3R)-2-amino-3-propylbutane-1,4-diol?
(2S,3R)-2-amino-3-propylbutane-1,4-diol has a molecular weight of 147.22 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-propylbutane-1,4-diol is sourced from PubChem (CID 10820698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).