2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid

C14H21N3O3 — CID 79804719

IUPAC2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
SMILESCCC(CC)(NC(=O)NCCc1ccccn1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-3-14(4-2,12(18)19)17-13(20)16-10-8-11-7-5-6-9-15-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyNSCTYMQPKDJDHS-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.57
Rot. Bonds7

About 2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid

2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid (PubChem CID 79804719) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
PubChem CID79804719
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
SMILESCCC(CC)(NC(=O)NCCc1ccccn1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-3-14(4-2,12(18)19)17-13(20)16-10-8-11-7-5-6-9-15-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyNSCTYMQPKDJDHS-UHFFFAOYSA-N
XLogP1.57
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183978
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea
CID 48544874
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid
CID 79815199
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid (CID 79804719) is 2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid is CCC(CC)(NC(=O)NCCc1ccccn1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid?
The InChIKey is NSCTYMQPKDJDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-14(4-2,12(18)19)17-13(20)16-10-8-11-7-5-6-9-15-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid?
2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 79804719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).