3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid

C7H13NO5 — CID 102529377

IUPAC3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)[C@H](O)CCO
InChIInChI=1S/C7H13NO5/c9-4-2-5(10)7(13)8-3-1-6(11)12/h5,9-10H,1-4H2,(H,8,13)(H,11,12)/t5-/m1/s1
InChIKeyNVBRLCCDSDVDDO-RXMQYKEDSA-N
MW191.18 g/mol
LogP-1.68
Rot. Bonds6

About 3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid

3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid (PubChem CID 102529377) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is 3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid
PubChem CID102529377
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)[C@H](O)CCO
InChIInChI=1S/C7H13NO5/c9-4-2-5(10)7(13)8-3-1-6(11)12/h5,9-10H,1-4H2,(H,8,13)(H,11,12)/t5-/m1/s1
InChIKeyNVBRLCCDSDVDDO-RXMQYKEDSA-N
XLogP-1.68
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,4-dihydroxybutanamide
CID 54530435
(2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide
CID 131230147
lithium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride
CID 174739358
sodium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride
CID 172998146
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydrochloride
CID 155803311
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
CID 174763260
CID 172837539
CID 172837539
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;gold
CID 176912960
calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc
CID 174492859

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid (CID 102529377) is 3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid is O=C(O)CCNC(=O)[C@H](O)CCO.
What is the InChIKey of 3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid?
The InChIKey is NVBRLCCDSDVDDO-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO5/c9-4-2-5(10)7(13)8-3-1-6(11)12/h5,9-10H,1-4H2,(H,8,13)(H,11,12)/t5-/m1/s1.
What are the key properties of 3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid?
3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid has a molecular weight of 191.18 g/mol, XLogP of -1.68, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid is sourced from PubChem (CID 102529377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).