2-(4-hydroxybutan-2-ylamino)hexanoic acid

C10H21NO3 — CID 103262235

IUPAC2-(4-hydroxybutan-2-ylamino)hexanoic acid
SMILESCCCCC(NC(C)CCO)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-4-5-9(10(13)14)11-8(2)6-7-12/h8-9,11-12H,3-7H2,1-2H3,(H,13,14)
InChIKeyAPUFZRHEUKIQFO-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.99
Rot. Bonds8

About 2-(4-hydroxybutan-2-ylamino)hexanoic acid

2-(4-hydroxybutan-2-ylamino)hexanoic acid (PubChem CID 103262235) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(4-hydroxybutan-2-ylamino)hexanoic acid.

Molecular Properties

Compound Name2-(4-hydroxybutan-2-ylamino)hexanoic acid
PubChem CID103262235
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-(4-hydroxybutan-2-ylamino)hexanoic acid
SMILESCCCCC(NC(C)CCO)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-4-5-9(10(13)14)11-8(2)6-7-12/h8-9,11-12H,3-7H2,1-2H3,(H,13,14)
InChIKeyAPUFZRHEUKIQFO-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pentan-2-ylamino)hexanoic acid
CID 103231809
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122039686
(2S)-2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122044862
(2S)-2-(4,4-dimethylpentan-2-ylamino)hexanoic acid
CID 122044614
2-(4-cyclopropylbutan-2-ylamino)hexanoic acid
CID 122039580
calcium;hydride;2-methylhexanoic acid
CID 173227921
3-(hexan-2-ylamino)butan-1-ol
CID 81338957
2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid
CID 122039513
2-(propan-2-ylamino)heptanoic acid
CID 43754297
(2S)-2-(heptadecan-2-ylamino)pentanedioic acid
CID 121284331
5-methoxy-2-(pentan-2-ylamino)pentanoic acid
CID 107886535

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutan-2-ylamino)hexanoic acid?
The IUPAC name of 2-(4-hydroxybutan-2-ylamino)hexanoic acid (CID 103262235) is 2-(4-hydroxybutan-2-ylamino)hexanoic acid.
What is the SMILES notation for 2-(4-hydroxybutan-2-ylamino)hexanoic acid?
The canonical SMILES for 2-(4-hydroxybutan-2-ylamino)hexanoic acid is CCCCC(NC(C)CCO)C(=O)O.
What is the InChIKey of 2-(4-hydroxybutan-2-ylamino)hexanoic acid?
The InChIKey is APUFZRHEUKIQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-4-5-9(10(13)14)11-8(2)6-7-12/h8-9,11-12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-hydroxybutan-2-ylamino)hexanoic acid?
2-(4-hydroxybutan-2-ylamino)hexanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutan-2-ylamino)hexanoic acid is sourced from PubChem (CID 103262235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).