3-hydroxy-2-(pentoxyamino)propanoic acid

C8H17NO4 — CID 154790126

IUPAC3-hydroxy-2-(pentoxyamino)propanoic acid
SMILESCCCCCONC(CO)C(=O)O
InChIInChI=1S/C8H17NO4/c1-2-3-4-5-13-9-7(6-10)8(11)12/h7,9-10H,2-6H2,1H3,(H,11,12)
InChIKeyZHXHKMHENMUJTO-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.14
Rot. Bonds8

About 3-hydroxy-2-(pentoxyamino)propanoic acid

3-hydroxy-2-(pentoxyamino)propanoic acid (PubChem CID 154790126) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-hydroxy-2-(pentoxyamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(pentoxyamino)propanoic acid
PubChem CID154790126
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name3-hydroxy-2-(pentoxyamino)propanoic acid
SMILESCCCCCONC(CO)C(=O)O
InChIInChI=1S/C8H17NO4/c1-2-3-4-5-13-9-7(6-10)8(11)12/h7,9-10H,2-6H2,1H3,(H,11,12)
InChIKeyZHXHKMHENMUJTO-UHFFFAOYSA-N
XLogP0.14
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-(hexoxyamino)pentanedioic acid;hydrofluoride
CID 174643827
CID 161488453
CID 161488453
(2R)-3-hydroxy-2-(methoxyamino)propanoic acid
CID 87285376
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237
2-(dihexylphosphanylamino)-3-hydroxypropanoic acid
CID 175069182
2-(methylamino)-4-pentoxybutanoic acid
CID 63034607
(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid
CID 88909691
(2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid
CID 87078659
(2R)-3-butoxy-2-(methylamino)propanoic acid
CID 89283521
2-(2,2,2-trifluoroethoxyamino)hexanoic acid
CID 103261646
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(pentoxyamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(pentoxyamino)propanoic acid (CID 154790126) is 3-hydroxy-2-(pentoxyamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(pentoxyamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(pentoxyamino)propanoic acid is CCCCCONC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(pentoxyamino)propanoic acid?
The InChIKey is ZHXHKMHENMUJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-2-3-4-5-13-9-7(6-10)8(11)12/h7,9-10H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-hydroxy-2-(pentoxyamino)propanoic acid?
3-hydroxy-2-(pentoxyamino)propanoic acid has a molecular weight of 191.23 g/mol, XLogP of 0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(pentoxyamino)propanoic acid is sourced from PubChem (CID 154790126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).