2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid

C12H20N2O3 — CID 66567790

IUPAC2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid
SMILESCC(=O)N(C1CC1)C1CCCN(CC(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-9(15)14(10-4-5-10)11-3-2-6-13(7-11)8-12(16)17/h10-11H,2-8H2,1H3,(H,16,17)
InChIKeyYQYWXBLOAZDKBH-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.55
Rot. Bonds4

About 2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid

2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid (PubChem CID 66567790) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid
PubChem CID66567790
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid
SMILESCC(=O)N(C1CC1)C1CCCN(CC(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-9(15)14(10-4-5-10)11-3-2-6-13(7-11)8-12(16)17/h10-11H,2-8H2,1H3,(H,16,17)
InChIKeyYQYWXBLOAZDKBH-UHFFFAOYSA-N
XLogP0.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid
CID 66568090
2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid
CID 96554931
2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67009777
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
2-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]acetic acid
CID 66566410
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
CID 96554914
2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride
CID 67009761
N-cyclopentyl-N-cyclopropyl-2-(3-ethylpiperidin-1-yl)acetamide
CID 78897689
2-[(3S)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66567287
2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid
CID 129496143
N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide
CID 66567496

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid (CID 66567790) is 2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid is CC(=O)N(C1CC1)C1CCCN(CC(=O)O)C1.
What is the InChIKey of 2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid?
The InChIKey is YQYWXBLOAZDKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9(15)14(10-4-5-10)11-3-2-6-13(7-11)8-12(16)17/h10-11H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid?
2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 66567790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).