2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid

C14H21N3O3 — CID 61184520

IUPAC2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCCc1ccccn1
InChIInChI=1S/C14H21N3O3/c1-3-11(2)17(10-13(18)19)14(20)16-9-7-12-6-4-5-8-15-12/h4-6,8,11H,3,7,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGEGHSTFOFBLCAP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.52
Rot. Bonds7

About 2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid

2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid (PubChem CID 61184520) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid
PubChem CID61184520
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCCc1ccccn1
InChIInChI=1S/C14H21N3O3/c1-3-11(2)17(10-13(18)19)14(20)16-9-7-12-6-4-5-8-15-12/h4-6,8,11H,3,7,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGEGHSTFOFBLCAP-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid
CID 61203871
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95135121
2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 79804719
3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid
CID 122019003

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid (CID 61184520) is 2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NCCc1ccccn1.
What is the InChIKey of 2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid?
The InChIKey is GEGHSTFOFBLCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-11(2)17(10-13(18)19)14(20)16-9-7-12-6-4-5-8-15-12/h4-6,8,11H,3,7,9-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid?
2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61184520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).