(3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid

C7H13NO6 — CID 54121468

IUPAC(3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)OCC(O)CO
InChIInChI=1S/C7H13NO6/c8-5(1-6(11)12)7(13)14-3-4(10)2-9/h4-5,9-10H,1-3,8H2,(H,11,12)/t4?,5-/m0/s1
InChIKeyNNZDSYKHPTXFAZ-AKGZTFGVSA-N
MW207.18 g/mol
LogP-2.32
Rot. Bonds6

About (3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid

(3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid (PubChem CID 54121468) has the molecular formula C7H13NO6 and a molecular weight of 207.18 g/mol. Its IUPAC name is (3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid
PubChem CID54121468
Molecular FormulaC7H13NO6
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name(3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)OCC(O)CO
InChIInChI=1S/C7H13NO6/c8-5(1-6(11)12)7(13)14-3-4(10)2-9/h4-5,9-10H,1-3,8H2,(H,11,12)/t4?,5-/m0/s1
InChIKeyNNZDSYKHPTXFAZ-AKGZTFGVSA-N
XLogP-2.32
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-2.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
CID 135319453
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507
(3S)-3-amino-4-[2-(2,3-dihydroxypropoxy)phenyl]-4-oxobutanoic acid
CID 54086744
(3S)-3-amino-4-aminooxy-4-oxobutanoic acid
CID 20575901
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
(3S)-3-amino-4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutanoic acid
CID 22791850
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 162130490
(3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid
CID 142645674
(3S)-3-amino-4-(3,3-diaminopropoxy)-4-oxobutanoic acid
CID 139681719
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
(4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
CID 11129133
potassium 2,3-dihydroxypropyl carbonate
CID 174435109

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid?
The IUPAC name of (3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid (CID 54121468) is (3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid?
The canonical SMILES for (3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid is N[C@@H](CC(=O)O)C(=O)OCC(O)CO.
What is the InChIKey of (3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid?
The InChIKey is NNZDSYKHPTXFAZ-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H13NO6/c8-5(1-6(11)12)7(13)14-3-4(10)2-9/h4-5,9-10H,1-3,8H2,(H,11,12)/t4?,5-/m0/s1.
What are the key properties of (3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid?
(3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid has a molecular weight of 207.18 g/mol, XLogP of -2.32, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid is sourced from PubChem (CID 54121468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).