3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid

C12H22N2O3 — CID 62901019

IUPAC3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
SMILESCCC(C(N)=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-10(12(13)17)14-8-4-3-5-9(14)6-7-11(15)16/h9-10H,2-8H2,1H3,(H2,13,17)(H,15,16)
InChIKeyXHEYEOXJTVMHEE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.97
Rot. Bonds6

About 3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid

3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid (PubChem CID 62901019) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
PubChem CID62901019
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
SMILESCCC(C(N)=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-10(12(13)17)14-8-4-3-5-9(14)6-7-11(15)16/h9-10H,2-8H2,1H3,(H2,13,17)(H,15,16)
InChIKeyXHEYEOXJTVMHEE-UHFFFAOYSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
CID 62900440
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
CID 154632136
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide
CID 55256655
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
3-[1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-2-yl]propanoic acid
CID 62217341
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
2-[2-(2-hydroxyethyl)piperidin-1-yl]butanehydrazide
CID 63570647
3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062585
2-chloro-2-(2-propylpiperidin-1-yl)acetamide
CID 70633548
4-amino-2-(2-propylpiperidin-1-yl)butanoic acid
CID 83057524
ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
CID 64662609

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid (CID 62901019) is 3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid is CCC(C(N)=O)N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid?
The InChIKey is XHEYEOXJTVMHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-10(12(13)17)14-8-4-3-5-9(14)6-7-11(15)16/h9-10H,2-8H2,1H3,(H2,13,17)(H,15,16).
What are the key properties of 3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid?
3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62901019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).