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

C13H25N3O3 — CID 61408551

IUPAC2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
SMILESCCCN(C(=O)N(CC)CC(=O)O)C1CCNCC1
InChIInChI=1S/C13H25N3O3/c1-3-9-16(11-5-7-14-8-6-11)13(19)15(4-2)10-12(17)18/h11,14H,3-10H2,1-2H3,(H,17,18)
InChIKeyGVPFNLFQTMJUBY-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.98
Rot. Bonds6

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

2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid (PubChem CID 61408551) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
PubChem CID61408551
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
SMILESCCCN(C(=O)N(CC)CC(=O)O)C1CCNCC1
InChIInChI=1S/C13H25N3O3/c1-3-9-16(11-5-7-14-8-6-11)13(19)15(4-2)10-12(17)18/h11,14H,3-10H2,1-2H3,(H,17,18)
InChIKeyGVPFNLFQTMJUBY-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid
CID 63646801
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276905
N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide
CID 119823717
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283860
2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408503
2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 60806583
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 54978335
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]-propylamino]acetic acid
CID 64520197
3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid
CID 62935444
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid (CID 61408551) is 2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid is CCCN(C(=O)N(CC)CC(=O)O)C1CCNCC1.
What is the InChIKey of 2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid?
The InChIKey is GVPFNLFQTMJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-9-16(11-5-7-14-8-6-11)13(19)15(4-2)10-12(17)18/h11,14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid?
2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61408551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).