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

C11H20N2O3 — CID 62900440

IUPAC2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
SMILESCCC(C(N)=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-9(11(12)16)13-6-4-3-5-8(13)7-10(14)15/h8-9H,2-7H2,1H3,(H2,12,16)(H,14,15)
InChIKeyGAKPPVRLEYYUPI-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.58
Rot. Bonds5

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

2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid (PubChem CID 62900440) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
PubChem CID62900440
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
SMILESCCC(C(N)=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-9(11(12)16)13-6-4-3-5-8(13)7-10(14)15/h8-9H,2-7H2,1H3,(H2,12,16)(H,14,15)
InChIKeyGAKPPVRLEYYUPI-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
CID 62901019
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
2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid
CID 65063547
ethyl 2-[2-(2-oxopropyl)azepan-1-yl]butanoate
CID 79560859
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
CID 64662609
2-(2-benzhydrylpiperidin-1-yl)butanamide
CID 3030424
2-[2-(2-oxopropyl)piperidin-1-yl]pentanoic acid
CID 83041043

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid (CID 62900440) is 2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid is CCC(C(N)=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid?
The InChIKey is GAKPPVRLEYYUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-9(11(12)16)13-6-4-3-5-8(13)7-10(14)15/h8-9H,2-7H2,1H3,(H2,12,16)(H,14,15).
What are the key properties of 2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid?
2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 62900440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).