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

C14H19N3O3 — CID 82748868

IUPAC2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
SMILESCCc1cccnc1CNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H19N3O3/c1-2-10-4-3-7-15-12(10)8-16-14(20)17(9-13(18)19)11-5-6-11/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyIJXQEPZOXZRLHO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.40
Rot. Bonds6

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

2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid (PubChem CID 82748868) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
PubChem CID82748868
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
SMILESCCc1cccnc1CNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H19N3O3/c1-2-10-4-3-7-15-12(10)8-16-14(20)17(9-13(18)19)11-5-6-11/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyIJXQEPZOXZRLHO-UHFFFAOYSA-N
XLogP1.40
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid
CID 82749531
2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 103996026
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
CID 116657152
2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 82732011
2-(azetidin-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738136
2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid
CID 61414112
1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea
CID 146090882
2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 62994376
2-[(4-chlorophenyl)methylcarbamoyl-cyclopropylamino]acetic acid
CID 54978380
2-[[(2S)-2-[(3-ethyl-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]cyclohexyl]-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 155766814
N-[(3-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 82748805
(3R)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 82737771

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid (CID 82748868) is 2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid is CCc1cccnc1CNC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid?
The InChIKey is IJXQEPZOXZRLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-10-4-3-7-15-12(10)8-16-14(20)17(9-13(18)19)11-5-6-11/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 82748868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).