2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid

C17H31N3O4 — CID 119198157

IUPAC2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)N(CC(=O)O)C(C)C)C1
InChIInChI=1S/C17H31N3O4/c1-12(2)9-18-17(24)19-7-5-6-14(10-19)8-15(21)20(13(3)4)11-16(22)23/h12-14H,5-11H2,1-4H3,(H,18,24)(H,22,23)
InChIKeyDORSJQXTMRJQAT-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.78
Rot. Bonds7

About 2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid

2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid (PubChem CID 119198157) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid
PubChem CID119198157
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Name2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)N(CC(=O)O)C(C)C)C1
InChIInChI=1S/C17H31N3O4/c1-12(2)9-18-17(24)19-7-5-6-14(10-19)8-15(21)20(13(3)4)11-16(22)23/h12-14H,5-11H2,1-4H3,(H,18,24)(H,22,23)
InChIKeyDORSJQXTMRJQAT-UHFFFAOYSA-N
XLogP1.78
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120539836
3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119444654
2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
CID 103925577
2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid
CID 119217371
2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
CID 60831184
(3S,4S)-4-methyl-1-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120952869
3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120507437
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
(2S)-2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]hexanoic acid
CID 120615595
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119418872
3-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119617925

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid (CID 119198157) is 2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid is CC(C)CNC(=O)N1CCCC(CC(=O)N(CC(=O)O)C(C)C)C1.
What is the InChIKey of 2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is DORSJQXTMRJQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-12(2)9-18-17(24)19-7-5-6-14(10-19)8-15(21)20(13(3)4)11-16(22)23/h12-14H,5-11H2,1-4H3,(H,18,24)(H,22,23).
What are the key properties of 2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid?
2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 341.45 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).