2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid

C14H28N2O3 — CID 83996085

IUPAC2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
SMILESCC(C)CCNC1CC(C(C)O)CN(CC(=O)O)C1
InChIInChI=1S/C14H28N2O3/c1-10(2)4-5-15-13-6-12(11(3)17)7-16(8-13)9-14(18)19/h10-13,15,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyVYYCPWIYNYJMFG-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.78
Rot. Bonds7

About 2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid

2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid (PubChem CID 83996085) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
PubChem CID83996085
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
SMILESCC(C)CCNC1CC(C(C)O)CN(CC(=O)O)C1
InChIInChI=1S/C14H28N2O3/c1-10(2)4-5-15-13-6-12(11(3)17)7-16(8-13)9-14(18)19/h10-13,15,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyVYYCPWIYNYJMFG-UHFFFAOYSA-N
XLogP0.78
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid
CID 83991296
2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996082
ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996101
3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 83990640
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151
2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid
CID 129496143
N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83995616
2-[3-(1-hydroxyethyl)piperidin-1-yl]acetic acid
CID 121201670
3-[3-methyl-5-(3-methylbutylamino)piperidin-1-yl]propanoic acid
CID 83996058
2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
CID 83995994
N-[1-ethyl-5-(1-hydroxyethyl)piperidin-3-yl]acetamide
CID 112541682
2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83995675

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid (CID 83996085) is 2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid is CC(C)CCNC1CC(C(C)O)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid?
The InChIKey is VYYCPWIYNYJMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(2)4-5-15-13-6-12(11(3)17)7-16(8-13)9-14(18)19/h10-13,15,17H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid?
2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 83996085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).