3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate

C7H16N2O6 — CID 89081551

IUPAC3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate
SMILESCC(O)C(N)C(=O)OCCCON(O)O
InChIInChI=1S/C7H16N2O6/c1-5(10)6(8)7(11)14-3-2-4-15-9(12)13/h5-6,10,12-13H,2-4,8H2,1H3
InChIKeyFTNGCPXGYNOBDL-UHFFFAOYSA-N
MW224.21 g/mol
LogP-1.36
Rot. Bonds7

About 3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate

3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate (PubChem CID 89081551) has the molecular formula C7H16N2O6 and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Name3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate
PubChem CID89081551
Molecular FormulaC7H16N2O6
Molecular Weight224.21 g/mol
Exact Mass224.10
IUPAC Name3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate
SMILESCC(O)C(N)C(=O)OCCCON(O)O
InChIInChI=1S/C7H16N2O6/c1-5(10)6(8)7(11)14-3-2-4-15-9(12)13/h5-6,10,12-13H,2-4,8H2,1H3
InChIKeyFTNGCPXGYNOBDL-UHFFFAOYSA-N
XLogP-1.36
TPSA125.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxypropyl 2-amino-3-hydroxybutanoate
CID 61277179
2-methoxyethyl 2-amino-3-hydroxybutanoate
CID 61279925
(3-tert-butyl-4,4-dimethylpentyl) 2-amino-3-hydroxybutanoate
CID 155606011
(2S,3R)-2-amino-3-hydroxybutaneperoxoic acid
CID 87892301
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
prop-2-ynyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 87164719
pentyl (2S)-2-amino-3-methylbutanoate
CID 61302518
3-iodopropyl (2R)-2-amino-3-methylbutanoate
CID 90070653
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
phosphanyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 174381323
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
3-(2-bromopropanoyloxy)propyl 2-bromopropanoate
CID 87557044

Frequently Asked Questions

What is the IUPAC name of 3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate?
The IUPAC name of 3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate (CID 89081551) is 3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate.
What is the SMILES notation for 3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate?
The canonical SMILES for 3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate is CC(O)C(N)C(=O)OCCCON(O)O.
What is the InChIKey of 3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate?
The InChIKey is FTNGCPXGYNOBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O6/c1-5(10)6(8)7(11)14-3-2-4-15-9(12)13/h5-6,10,12-13H,2-4,8H2,1H3.
What are the key properties of 3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate?
3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate has a molecular weight of 224.21 g/mol, XLogP of -1.36, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate is sourced from PubChem (CID 89081551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).