(4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid

C10H17NO7 — CID 11129133

IUPAC(4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
SMILESCC(=O)N[C@@H](CCC(=O)O)C(=O)OCC(O)CO
InChIInChI=1S/C10H17NO7/c1-6(13)11-8(2-3-9(15)16)10(17)18-5-7(14)4-12/h7-8,12,14H,2-5H2,1H3,(H,11,13)(H,15,16)/t7?,8-/m0/s1
InChIKeyCNDLPZWIFQOEND-MQWKRIRWSA-N
MW263.25 g/mol
LogP-1.75
Rot. Bonds8

About (4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid

(4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid (PubChem CID 11129133) has the molecular formula C10H17NO7 and a molecular weight of 263.25 g/mol. Its IUPAC name is (4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
PubChem CID11129133
Molecular FormulaC10H17NO7
Molecular Weight263.25 g/mol
Exact Mass263.10
IUPAC Name(4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
SMILESCC(=O)N[C@@H](CCC(=O)O)C(=O)OCC(O)CO
InChIInChI=1S/C10H17NO7/c1-6(13)11-8(2-3-9(15)16)10(17)18-5-7(14)4-12/h7-8,12,14H,2-5H2,1H3,(H,11,13)(H,15,16)/t7?,8-/m0/s1
InChIKeyCNDLPZWIFQOEND-MQWKRIRWSA-N
XLogP-1.75
TPSA133.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2,3-dihydroxypropyl] (2S)-2-acetamido-5-(diaminomethylideneamino)pentanoate
CID 101142483
4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
CID 135319453
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
(2R)-2-acetamidopentanedioic acid
CID 161394708
(4S)-4-acetamido-5-hydroxyhex-5-enoic acid
CID 58379239
sodium;(2S)-2-acetamidopentanedioic acid;hydride
CID 174759802
4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid
CID 89197770
(4R)-4-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(1R)-3-amino-1-carboxy-3-oxopropyl]amino]-5-oxopentanoic acid
CID 175714774
(4R)-4-[[2-[[(2R)-2-[[2-[[(2R)-2-[[2-[[(2R)-2-[[2-[[(2R)-2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-[(1,4-diamino-1,4-dioxobutan-2-yl)amino]-5-oxopentanoic acid
CID 155280251
(4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid
CID 91214674
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
(3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid
CID 54121468

Frequently Asked Questions

What is the IUPAC name of (4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid?
The IUPAC name of (4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid (CID 11129133) is (4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid is CC(=O)N[C@@H](CCC(=O)O)C(=O)OCC(O)CO.
What is the InChIKey of (4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid?
The InChIKey is CNDLPZWIFQOEND-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H17NO7/c1-6(13)11-8(2-3-9(15)16)10(17)18-5-7(14)4-12/h7-8,12,14H,2-5H2,1H3,(H,11,13)(H,15,16)/t7?,8-/m0/s1.
What are the key properties of (4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid?
(4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid has a molecular weight of 263.25 g/mol, XLogP of -1.75, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid is sourced from PubChem (CID 11129133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).