[1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium

C13H24N3O3+ — CID 163537220

IUPAC[1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium
SMILESCC(C)C(=[NH2+])NC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c1-9(2)12(14)15-13(19)16-7-5-10(6-8-16)3-4-11(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H2,14,15,19)/p+1
InChIKeyDYADEVBUPCABIA-UHFFFAOYSA-O
MW270.35 g/mol
LogP0.09
Rot. Bonds4

About [1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium

[1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium (PubChem CID 163537220) has the molecular formula C13H24N3O3+ and a molecular weight of 270.35 g/mol. Its IUPAC name is [1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium.

Molecular Properties

Compound Name[1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium
PubChem CID163537220
Molecular FormulaC13H24N3O3+
Molecular Weight270.35 g/mol
Exact Mass270.18
IUPAC Name[1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium
SMILESCC(C)C(=[NH2+])NC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c1-9(2)12(14)15-13(19)16-7-5-10(6-8-16)3-4-11(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H2,14,15,19)/p+1
InChIKeyDYADEVBUPCABIA-UHFFFAOYSA-O
XLogP0.09
TPSA95.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-{1-[(2-Methylpropyl)carbamoyl]piperidin-3-yl}acetic acid
CID 53625439
3-[1-[(1-Amino-2-methylpropylidene)carbamoyl]piperidin-4-yl]butanoic acid
CID 123439132
3-[1-[(Z)-(1-amino-2-methylpropylidene)carbamoyl]piperidin-4-yl]propanoic acid
CID 144285388
6-((3R,5S)-3,5-dimethylpiperidine-1-carboxamido)hexanoic acid
CID 17598134
6-[[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid
CID 28934315
6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid
CID 28934319
6-{[(3,5-Dimethylpiperidin-1-yl)carbonyl]amino}hexanoic acid
CID 43912841
3-[1-[2-(Dimethylamino)ethylcarbamoyl]piperidin-4-yl]propanoic acid
CID 55049612
3-[1-(2-Methylbutylcarbamoyl)piperidin-4-yl]propanoic acid
CID 55108172
2-[1-(2-Methylbutylcarbamoyl)piperidin-3-yl]acetic acid
CID 55108173
3-{1-[(Propan-2-yl)carbamoyl]piperidin-4-yl}propanoic acid
CID 55133649
2-[1-(Butylcarbamoyl)piperidin-3-yl]acetic acid
CID 55211090

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium?
The IUPAC name of [1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium (CID 163537220) is [1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium.
What is the SMILES notation for [1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium?
The canonical SMILES for [1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium is CC(C)C(=[NH2+])NC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of [1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium?
The InChIKey is DYADEVBUPCABIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H23N3O3/c1-9(2)12(14)15-13(19)16-7-5-10(6-8-16)3-4-11(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H2,14,15,19)/p+1.
What are the key properties of [1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium?
[1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium has a molecular weight of 270.35 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(2-carboxyethyl)piperidine-1-carbonyl]amino]-2-methylpropylidene]azanium is sourced from PubChem (CID 163537220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).