(4S)-5-aminopentane-1,4-diol

C5H13NO2 — CID 14243207

IUPAC(4S)-5-aminopentane-1,4-diol
SMILESNC[C@@H](O)CCCO
InChIInChI=1S/C5H13NO2/c6-4-5(8)2-1-3-7/h5,7-8H,1-4,6H2/t5-/m0/s1
InChIKeySIDRRNHGEIKYSI-YFKPBYRVSA-N
MW119.16 g/mol
LogP-0.92
Rot. Bonds4

About (4S)-5-aminopentane-1,4-diol

(4S)-5-aminopentane-1,4-diol (PubChem CID 14243207) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (4S)-5-aminopentane-1,4-diol.

Molecular Properties

Compound Name(4S)-5-aminopentane-1,4-diol
PubChem CID14243207
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(4S)-5-aminopentane-1,4-diol
SMILESNC[C@@H](O)CCCO
InChIInChI=1S/C5H13NO2/c6-4-5(8)2-1-3-7/h5,7-8H,1-4,6H2/t5-/m0/s1
InChIKeySIDRRNHGEIKYSI-YFKPBYRVSA-N
XLogP-0.92
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-aminopentane-1,4-diol?
The IUPAC name of (4S)-5-aminopentane-1,4-diol (CID 14243207) is (4S)-5-aminopentane-1,4-diol.
What is the SMILES notation for (4S)-5-aminopentane-1,4-diol?
The canonical SMILES for (4S)-5-aminopentane-1,4-diol is NC[C@@H](O)CCCO.
What is the InChIKey of (4S)-5-aminopentane-1,4-diol?
The InChIKey is SIDRRNHGEIKYSI-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H13NO2/c6-4-5(8)2-1-3-7/h5,7-8H,1-4,6H2/t5-/m0/s1.
What are the key properties of (4S)-5-aminopentane-1,4-diol?
(4S)-5-aminopentane-1,4-diol has a molecular weight of 119.16 g/mol, XLogP of -0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-aminopentane-1,4-diol is sourced from PubChem (CID 14243207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).