2-aminopropane-1,1,2,3,3-pentol

C3H9NO5 — CID 175213904

IUPAC2-aminopropane-1,1,2,3,3-pentol
SMILESNC(O)(C(O)O)C(O)O
InChIInChI=1S/C3H9NO5/c4-3(9,1(5)6)2(7)8/h1-2,5-9H,4H2
InChIKeyDJSAZCPLSUUDKO-UHFFFAOYSA-N
MW139.11 g/mol
LogP-3.74
Rot. Bonds2

About 2-aminopropane-1,1,2,3,3-pentol

2-aminopropane-1,1,2,3,3-pentol (PubChem CID 175213904) has the molecular formula C3H9NO5 and a molecular weight of 139.11 g/mol. Its IUPAC name is 2-aminopropane-1,1,2,3,3-pentol.

Molecular Properties

Compound Name2-aminopropane-1,1,2,3,3-pentol
PubChem CID175213904
Molecular FormulaC3H9NO5
Molecular Weight139.11 g/mol
Exact Mass139.05
IUPAC Name2-aminopropane-1,1,2,3,3-pentol
SMILESNC(O)(C(O)O)C(O)O
InChIInChI=1S/C3H9NO5/c4-3(9,1(5)6)2(7)8/h1-2,5-9H,4H2
InChIKeyDJSAZCPLSUUDKO-UHFFFAOYSA-N
XLogP-3.74
TPSA127.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500139.11
LogP ≤ 5-3.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methylpropane-1,1,2-triol
CID 22500679
1,2-diaminoethane-1,1,2-triol
CID 19983644
(2S)-1-aminopropane-1,1,2-triol
CID 25141054
2-aminobut-3-ene-1,1,2-triol
CID 91365867
(3R)-3-amino-2,3,4,5-tetrahydroxypentanal
CID 175181996
tetraoxyethyl silane
CID 138374165
2-aminopentane-1,2,3-triol
CID 118484308
2-aminoethane-1,1,1,2-tetrol;hydrochloride
CID 173410323
2,3-diamino-2-chloropropane-1,1-diol
CID 175628069
2-amino-2-methylpropane-1,3-diol;propan-2-ol
CID 18519501
1-aminopropane-1,2,2-triol
CID 89487611
2-amino-2,4,5,5-tetramethylhexan-3-ol
CID 130506923

Frequently Asked Questions

What is the IUPAC name of 2-aminopropane-1,1,2,3,3-pentol?
The IUPAC name of 2-aminopropane-1,1,2,3,3-pentol (CID 175213904) is 2-aminopropane-1,1,2,3,3-pentol.
What is the SMILES notation for 2-aminopropane-1,1,2,3,3-pentol?
The canonical SMILES for 2-aminopropane-1,1,2,3,3-pentol is NC(O)(C(O)O)C(O)O.
What is the InChIKey of 2-aminopropane-1,1,2,3,3-pentol?
The InChIKey is DJSAZCPLSUUDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO5/c4-3(9,1(5)6)2(7)8/h1-2,5-9H,4H2.
What are the key properties of 2-aminopropane-1,1,2,3,3-pentol?
2-aminopropane-1,1,2,3,3-pentol has a molecular weight of 139.11 g/mol, XLogP of -3.74, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropane-1,1,2,3,3-pentol is sourced from PubChem (CID 175213904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).