2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid

C8H15NO6 — CID 155788210

IUPAC2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NC(CCO)C(=O)O
InChIInChI=1S/C8H15NO6/c10-3-1-5(7(12)13)9-6(2-4-11)8(14)15/h5-6,9-11H,1-4H2,(H,12,13)(H,14,15)
InChIKeySVJAMNNMWGJRIZ-UHFFFAOYSA-N
MW221.21 g/mol
LogP-1.75
Rot. Bonds8

About 2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid

2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid (PubChem CID 155788210) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid
PubChem CID155788210
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Name2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NC(CCO)C(=O)O
InChIInChI=1S/C8H15NO6/c10-3-1-5(7(12)13)9-6(2-4-11)8(14)15/h5-6,9-11H,1-4H2,(H,12,13)(H,14,15)
InChIKeySVJAMNNMWGJRIZ-UHFFFAOYSA-N
XLogP-1.75
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-1.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydrazinyl-4-hydroxybutanoic acid
CID 150765964
(2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid
CID 142037842
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
2-(tert-butylamino)-4-hydroxybutanoic acid
CID 83695715
(2S)-4-hydroxy-2-[(2-sulfanylacetyl)amino]butanoic acid
CID 91260947
2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
CID 61244410
4-hydroxy-2-(2-methylpropylamino)butanoic acid
CID 123309007
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(4-hydroxybutan-2-ylamino)hexanoic acid
CID 103262235
(2S)-4-hydroxy-2-(3-oxobutanoylamino)butanoic acid
CID 54118201
(2S)-2-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]amino]-4-hydroxybutanoic acid
CID 118624501
(2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid
CID 107824076

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid (CID 155788210) is 2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid is O=C(O)C(CCO)NC(CCO)C(=O)O.
What is the InChIKey of 2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid?
The InChIKey is SVJAMNNMWGJRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6/c10-3-1-5(7(12)13)9-6(2-4-11)8(14)15/h5-6,9-11H,1-4H2,(H,12,13)(H,14,15).
What are the key properties of 2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid?
2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid has a molecular weight of 221.21 g/mol, XLogP of -1.75, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 155788210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).