2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid

C11H21N3O3 — CID 61408503

IUPAC2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
SMILESCCCN(C(=O)NCC(=O)O)C1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-2-7-14(9-3-5-12-6-4-9)11(17)13-8-10(15)16/h9,12H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyUJTHQBMNJUSFKE-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.24
Rot. Bonds5

About 2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid

2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid (PubChem CID 61408503) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
PubChem CID61408503
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
SMILESCCCN(C(=O)NCC(=O)O)C1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-2-7-14(9-3-5-12-6-4-9)11(17)13-8-10(15)16/h9,12H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyUJTHQBMNJUSFKE-UHFFFAOYSA-N
XLogP0.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-3-[[piperidin-4-yl(propyl)carbamoyl]amino]propanoic acid
CID 107838747
3-methyl-3-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 64700277
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
(2S)-3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61408174
3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61407942
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 60806583
3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea
CID 62699859
2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408551
ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate
CID 43445694
3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid
CID 62935444
6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 61403429

Frequently Asked Questions

What is the IUPAC name of 2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid (CID 61408503) is 2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid is CCCN(C(=O)NCC(=O)O)C1CCNCC1.
What is the InChIKey of 2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid?
The InChIKey is UJTHQBMNJUSFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-7-14(9-3-5-12-6-4-9)11(17)13-8-10(15)16/h9,12H,2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid?
2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid has a molecular weight of 243.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61408503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).