4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid

C7H14N2O5 — CID 106178077

IUPAC4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid
SMILESNC(=O)C(O)CNCC(O)CC(=O)O
InChIInChI=1S/C7H14N2O5/c8-7(14)5(11)3-9-2-4(10)1-6(12)13/h4-5,9-11H,1-3H2,(H2,8,14)(H,12,13)
InChIKeyIQWXPNGZDCCVTC-UHFFFAOYSA-N
MW206.20 g/mol
LogP-2.74
Rot. Bonds7

About 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid

4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid (PubChem CID 106178077) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid
PubChem CID106178077
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid
SMILESNC(=O)C(O)CNCC(O)CC(=O)O
InChIInChI=1S/C7H14N2O5/c8-7(14)5(11)3-9-2-4(10)1-6(12)13/h4-5,9-11H,1-3H2,(H2,8,14)(H,12,13)
InChIKeyIQWXPNGZDCCVTC-UHFFFAOYSA-N
XLogP-2.74
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-2.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106174936
4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid
CID 103238903
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-hydroxypropanamide
CID 106174560
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid
CID 103251562
4-[(2,2-difluoro-3-hydroxypropyl)amino]-3-hydroxybutanoic acid
CID 106178195
3-hydroxy-4-(prop-2-ynylamino)butanoic acid
CID 103230585
3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide
CID 106170441
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174317
3-hydroxy-4-[(2-hydroxy-2-phenylethyl)amino]butanoic acid
CID 103238121
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
3-hydroxy-4-(octadecylamino)butanoic acid
CID 87708231
3-(2,2-diethoxyethylamino)-2-hydroxypropanamide
CID 106174370

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid (CID 106178077) is 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid is NC(=O)C(O)CNCC(O)CC(=O)O.
What is the InChIKey of 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid?
The InChIKey is IQWXPNGZDCCVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5/c8-7(14)5(11)3-9-2-4(10)1-6(12)13/h4-5,9-11H,1-3H2,(H2,8,14)(H,12,13).
What are the key properties of 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid?
4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid has a molecular weight of 206.20 g/mol, XLogP of -2.74, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 106178077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).