(4S)-2-amino-4,5-dihydroxypentanoic acid

C5H11NO4 — CID 58205958

IUPAC(4S)-2-amino-4,5-dihydroxypentanoic acid
SMILESNC(C[C@H](O)CO)C(=O)O
InChIInChI=1S/C5H11NO4/c6-4(5(9)10)1-3(8)2-7/h3-4,7-8H,1-2,6H2,(H,9,10)/t3-,4?/m0/s1
InChIKeyMNEGOIQRDZMOLW-WUCPZUCCSA-N
MW149.15 g/mol
LogP-1.86
Rot. Bonds4

About (4S)-2-amino-4,5-dihydroxypentanoic acid

(4S)-2-amino-4,5-dihydroxypentanoic acid (PubChem CID 58205958) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (4S)-2-amino-4,5-dihydroxypentanoic acid.

Molecular Properties

Compound Name(4S)-2-amino-4,5-dihydroxypentanoic acid
PubChem CID58205958
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(4S)-2-amino-4,5-dihydroxypentanoic acid
SMILESNC(C[C@H](O)CO)C(=O)O
InChIInChI=1S/C5H11NO4/c6-4(5(9)10)1-3(8)2-7/h3-4,7-8H,1-2,6H2,(H,9,10)/t3-,4?/m0/s1
InChIKeyMNEGOIQRDZMOLW-WUCPZUCCSA-N
XLogP-1.86
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
(2S,7S)-2-amino-7,8-dihydroxyoctanoic acid
CID 177277676
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
2-amino-5,6-dihydroxy-3-sulfanylhexanoic acid
CID 174609616
CID 157089134
CID 157089134
2,4,6-triaminoheptanedioic acid
CID 71362819
(2S)-2-amino-3-phosphonooxypropanoic acid;propane-1,2,3-triol
CID 160724089
2-amino-4-hydroxypentanoic acid
CID 14021586
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
2-amino-4-hydroxypentanoic acid;ethane
CID 143364485
2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4,5-dihydroxypentanoic acid?
The IUPAC name of (4S)-2-amino-4,5-dihydroxypentanoic acid (CID 58205958) is (4S)-2-amino-4,5-dihydroxypentanoic acid.
What is the SMILES notation for (4S)-2-amino-4,5-dihydroxypentanoic acid?
The canonical SMILES for (4S)-2-amino-4,5-dihydroxypentanoic acid is NC(C[C@H](O)CO)C(=O)O.
What is the InChIKey of (4S)-2-amino-4,5-dihydroxypentanoic acid?
The InChIKey is MNEGOIQRDZMOLW-WUCPZUCCSA-N. The full InChI is InChI=1S/C5H11NO4/c6-4(5(9)10)1-3(8)2-7/h3-4,7-8H,1-2,6H2,(H,9,10)/t3-,4?/m0/s1.
What are the key properties of (4S)-2-amino-4,5-dihydroxypentanoic acid?
(4S)-2-amino-4,5-dihydroxypentanoic acid has a molecular weight of 149.15 g/mol, XLogP of -1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-4,5-dihydroxypentanoic acid is sourced from PubChem (CID 58205958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).