2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid

C11H18N2O3 — CID 65466458

IUPAC2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
SMILESNC1(C(=O)N2CCCC(CC(=O)O)C2)CC1
InChIInChI=1S/C11H18N2O3/c12-11(3-4-11)10(16)13-5-1-2-8(7-13)6-9(14)15/h8H,1-7,12H2,(H,14,15)
InChIKeyYBQHJLSHISQQAL-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.19
Rot. Bonds3

About 2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid

2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid (PubChem CID 65466458) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
PubChem CID65466458
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
SMILESNC1(C(=O)N2CCCC(CC(=O)O)C2)CC1
InChIInChI=1S/C11H18N2O3/c12-11(3-4-11)10(16)13-5-1-2-8(7-13)6-9(14)15/h8H,1-7,12H2,(H,14,15)
InChIKeyYBQHJLSHISQQAL-UHFFFAOYSA-N
XLogP0.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid
CID 81168509
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807799
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95556760
(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875759
(1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222967
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide
CID 119301801
2-[(3S)-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]acetic acid
CID 94539611
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid (CID 65466458) is 2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid is NC1(C(=O)N2CCCC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid?
The InChIKey is YBQHJLSHISQQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c12-11(3-4-11)10(16)13-5-1-2-8(7-13)6-9(14)15/h8H,1-7,12H2,(H,14,15).
What are the key properties of 2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid?
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 65466458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).