2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid

C14H21N3O3 — CID 82749531

IUPAC2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCc1ncccc1CC
InChIInChI=1S/C14H21N3O3/c1-3-8-17(10-13(18)19)14(20)16-9-12-11(4-2)6-5-7-15-12/h5-7H,3-4,8-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyACSXYQIIEOKZBO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.65
Rot. Bonds7

About 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid

2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid (PubChem CID 82749531) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid
PubChem CID82749531
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCc1ncccc1CC
InChIInChI=1S/C14H21N3O3/c1-3-8-17(10-13(18)19)14(20)16-9-12-11(4-2)6-5-7-15-12/h5-7H,3-4,8-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyACSXYQIIEOKZBO-UHFFFAOYSA-N
XLogP1.65
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 82748868
2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid
CID 54978487
2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 107438737
2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid
CID 106421256
2-[(4-bromophenyl)methylcarbamoyl-propylamino]acetic acid
CID 61194395
2-[1,2-oxazol-3-ylmethylcarbamoyl(propyl)amino]acetic acid
CID 81177360
2-[ethyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 61191924
2-[(3-bromophenyl)methylcarbamoyl-propylamino]acetic acid
CID 61414401
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82737778
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
CID 61205004

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid (CID 82749531) is 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)NCc1ncccc1CC.
What is the InChIKey of 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid?
The InChIKey is ACSXYQIIEOKZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-8-17(10-13(18)19)14(20)16-9-12-11(4-2)6-5-7-15-12/h5-7H,3-4,8-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid?
2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid is sourced from PubChem (CID 82749531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).