4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid

C8H17NO4 — CID 63930297

IUPAC4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid
SMILESCOCC(O)CNCCCC(=O)O
InChIInChI=1S/C8H17NO4/c1-13-6-7(10)5-9-4-2-3-8(11)12/h7,9-10H,2-6H2,1H3,(H,11,12)
InChIKeyNRIRKUTZEHLZBA-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.55
Rot. Bonds8

About 4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid

4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid (PubChem CID 63930297) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid
PubChem CID63930297
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid
SMILESCOCC(O)CNCCCC(=O)O
InChIInChI=1S/C8H17NO4/c1-13-6-7(10)5-9-4-2-3-8(11)12/h7,9-10H,2-6H2,1H3,(H,11,12)
InChIKeyNRIRKUTZEHLZBA-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate
CID 63930269
1-(3-ethylsulfonylpropylamino)-3-methoxypropan-2-ol
CID 65093219
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384
4-(2-methylpropylamino)butanoic acid
CID 18071581
5-[(2-hydroxy-3-methoxypropyl)amino]-1-(4-hydroxyphenyl)pentan-2-one
CID 159473257
1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
CID 103931685
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid
CID 43473540
N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030580
5-(3-methoxypropylamino)pentanoic acid
CID 103237135
1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate
CID 155669506
7-[(2-hydroxy-3-phenoxypropyl)amino]heptanoic acid
CID 3304910

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid?
The IUPAC name of 4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid (CID 63930297) is 4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid is COCC(O)CNCCCC(=O)O.
What is the InChIKey of 4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid?
The InChIKey is NRIRKUTZEHLZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-13-6-7(10)5-9-4-2-3-8(11)12/h7,9-10H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid?
4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid has a molecular weight of 191.23 g/mol, XLogP of -0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid is sourced from PubChem (CID 63930297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).