2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid

C14H24N2O3 — CID 81043537

IUPAC2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C14H24N2O3/c1-3-7-16(10-14(18)19)13(17)8-11(2)12-5-4-6-15-9-12/h3,11-12,15H,1,4-10H2,2H3,(H,18,19)
InChIKeyAOSFOWIVVQDYJT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.11
Rot. Bonds7

About 2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid

2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid (PubChem CID 81043537) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid
PubChem CID81043537
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C14H24N2O3/c1-3-7-16(10-14(18)19)13(17)8-11(2)12-5-4-6-15-9-12/h3,11-12,15H,1,4-10H2,2H3,(H,18,19)
InChIKeyAOSFOWIVVQDYJT-UHFFFAOYSA-N
XLogP1.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide
CID 81044014
2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid
CID 81048851
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148
N-ethyl-N-(2-ethylbutyl)-3-piperidin-3-ylbutanamide
CID 81044581
2-[piperidine-3-carbonyl(prop-2-enyl)amino]acetic acid
CID 79265013
2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid
CID 116678360
3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828

Frequently Asked Questions

What is the IUPAC name of 2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid (CID 81043537) is 2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)CC(C)C1CCCNC1.
What is the InChIKey of 2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is AOSFOWIVVQDYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-7-16(10-14(18)19)13(17)8-11(2)12-5-4-6-15-9-12/h3,11-12,15H,1,4-10H2,2H3,(H,18,19).
What are the key properties of 2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid?
2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 81043537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).