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

C13H22N2O3 — CID 62689796

IUPAC2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)CNCC2CC2)C1
InChIInChI=1S/C13H22N2O3/c16-12(8-14-7-10-3-4-10)15-5-1-2-11(9-15)6-13(17)18/h10-11,14H,1-9H2,(H,17,18)
InChIKeyKMUVHBTVTRAFMQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.70
Rot. Bonds6

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

2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid (PubChem CID 62689796) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
PubChem CID62689796
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)CNCC2CC2)C1
InChIInChI=1S/C13H22N2O3/c16-12(8-14-7-10-3-4-10)15-5-1-2-11(9-15)6-13(17)18/h10-11,14H,1-9H2,(H,17,18)
InChIKeyKMUVHBTVTRAFMQ-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 119779313
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62691166
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813693
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
CID 106133822
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid (CID 62689796) is 2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)CNCC2CC2)C1.
What is the InChIKey of 2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid?
The InChIKey is KMUVHBTVTRAFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(8-14-7-10-3-4-10)15-5-1-2-11(9-15)6-13(17)18/h10-11,14H,1-9H2,(H,17,18).
What are the key properties of 2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid?
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).