2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid

C14H21N3O3 — CID 61183978

IUPAC2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)NCCc1ccccn1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-3-8-14(2,12(18)19)17-13(20)16-10-7-11-6-4-5-9-15-11/h4-6,9H,3,7-8,10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyLHWMRBNIWRYFCH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.57
Rot. Bonds7

About 2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid

2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid (PubChem CID 61183978) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
PubChem CID61183978
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)NCCc1ccccn1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-3-8-14(2,12(18)19)17-13(20)16-10-7-11-6-4-5-9-15-11/h4-6,9H,3,7-8,10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyLHWMRBNIWRYFCH-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-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 79804719
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
ethyl 3,3-dimethyl-2-(2-pyridin-2-ylethylcarbamoyl)butanoate
CID 116537643
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
2,2-bis(pyridin-2-ylmethyl)pentanoic acid
CID 67287771
1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 111714218
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 120613692

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid (CID 61183978) is 2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid is CCCC(C)(NC(=O)NCCc1ccccn1)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid?
The InChIKey is LHWMRBNIWRYFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-8-14(2,12(18)19)17-13(20)16-10-7-11-6-4-5-9-15-11/h4-6,9H,3,7-8,10H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid?
2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic 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-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61183978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).