2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid

C14H21N3O3 — CID 63064912

IUPAC2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NC(C)c1cccnc1
InChIInChI=1S/C14H21N3O3/c1-10(2)8-17(9-13(18)19)14(20)16-11(3)12-5-4-6-15-7-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyAOMJKZKTTYJBRU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.89
Rot. Bonds6

About 2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid

2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid (PubChem CID 63064912) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid
PubChem CID63064912
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NC(C)c1cccnc1
InChIInChI=1S/C14H21N3O3/c1-10(2)8-17(9-13(18)19)14(20)16-11(3)12-5-4-6-15-7-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyAOMJKZKTTYJBRU-UHFFFAOYSA-N
XLogP1.89
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid
CID 63064367
2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066149
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
CID 61328794
2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 125447432
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
3,3-dimethyl-5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407118
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid (CID 63064912) is 2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NC(C)c1cccnc1.
What is the InChIKey of 2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid?
The InChIKey is AOMJKZKTTYJBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)8-17(9-13(18)19)14(20)16-11(3)12-5-4-6-15-7-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid?
2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63064912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).