(2S,3S)-2,3-dihydroxypentanediamide

C5H10N2O4 — CID 131227840

IUPAC(2S,3S)-2,3-dihydroxypentanediamide
SMILESNC(=O)C[C@H](O)[C@H](O)C(N)=O
InChIInChI=1S/C5H10N2O4/c6-3(9)1-2(8)4(10)5(7)11/h2,4,8,10H,1H2,(H2,6,9)(H2,7,11)/t2-,4-/m0/s1
InChIKeyNEWCYXHWVOAFEI-OKKQSCSOSA-N
MW162.14 g/mol
LogP-2.93
Rot. Bonds4

About (2S,3S)-2,3-dihydroxypentanediamide

(2S,3S)-2,3-dihydroxypentanediamide (PubChem CID 131227840) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2S,3S)-2,3-dihydroxypentanediamide.

Molecular Properties

Compound Name(2S,3S)-2,3-dihydroxypentanediamide
PubChem CID131227840
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name(2S,3S)-2,3-dihydroxypentanediamide
SMILESNC(=O)C[C@H](O)[C@H](O)C(N)=O
InChIInChI=1S/C5H10N2O4/c6-3(9)1-2(8)4(10)5(7)11/h2,4,8,10H,1H2,(H2,6,9)(H2,7,11)/t2-,4-/m0/s1
InChIKeyNEWCYXHWVOAFEI-OKKQSCSOSA-N
XLogP-2.93
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-amino-4,5-dihydroxypentanamide
CID 55255995
3-hydroxy-4,5-dimethylhexanamide
CID 89154230
(3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide
CID 121479436
(3S)-2,3,7-trihydroxyheptanamide
CID 175399258
3-amino-1-hydroxy-3-oxopropane-1-sulfonic acid
CID 103574313
4-amino-2-hydroxy-4-oxobutanethioic S-acid
CID 141334198
(3S)-4-amino-3-hydroxybutanamide
CID 12536775
(3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide
CID 118374709
2,3-dihydroxy-4-(2-methylpropylamino)butanamide
CID 91040731
disodium;[(2R,3S)-4-amino-2,3-dihydroxy-4-oxobutyl] phosphate
CID 59142123
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
2-(aminomethyl)butanediamide
CID 20502890

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dihydroxypentanediamide?
The IUPAC name of (2S,3S)-2,3-dihydroxypentanediamide (CID 131227840) is (2S,3S)-2,3-dihydroxypentanediamide.
What is the SMILES notation for (2S,3S)-2,3-dihydroxypentanediamide?
The canonical SMILES for (2S,3S)-2,3-dihydroxypentanediamide is NC(=O)C[C@H](O)[C@H](O)C(N)=O.
What is the InChIKey of (2S,3S)-2,3-dihydroxypentanediamide?
The InChIKey is NEWCYXHWVOAFEI-OKKQSCSOSA-N. The full InChI is InChI=1S/C5H10N2O4/c6-3(9)1-2(8)4(10)5(7)11/h2,4,8,10H,1H2,(H2,6,9)(H2,7,11)/t2-,4-/m0/s1.
What are the key properties of (2S,3S)-2,3-dihydroxypentanediamide?
(2S,3S)-2,3-dihydroxypentanediamide has a molecular weight of 162.14 g/mol, XLogP of -2.93, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dihydroxypentanediamide is sourced from PubChem (CID 131227840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).