(2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid

C15H26N2O3 — CID 107565970

IUPAC(2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)C1CC2CCC1C2)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-3-4-13(14(18)19)17-15(20)16-9(2)12-8-10-5-6-11(12)7-10/h9-13H,3-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t9?,10?,11?,12?,13-/m1/s1
InChIKeyOADWXGKOHRYXLS-VYDKLHFJSA-N
MW282.38 g/mol
LogP2.36
Rot. Bonds6

About (2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid

(2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid (PubChem CID 107565970) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid
PubChem CID107565970
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)C1CC2CCC1C2)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-3-4-13(14(18)19)17-15(20)16-9(2)12-8-10-5-6-11(12)7-10/h9-13H,3-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t9?,10?,11?,12?,13-/m1/s1
InChIKeyOADWXGKOHRYXLS-VYDKLHFJSA-N
XLogP2.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid with MolForge

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Related Compounds

2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
CID 61198675
(2S,3R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 104965754
2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid
CID 43631080
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]propanoic acid
CID 16784459
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
CID 43630318
2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid
CID 64583859
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
ethyl N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98277095
1-(2-adamantyl)-3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]urea
CID 112831635
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid (CID 107565970) is (2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NC(C)C1CC2CCC1C2)C(=O)O.
What is the InChIKey of (2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is OADWXGKOHRYXLS-VYDKLHFJSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-4-13(14(18)19)17-15(20)16-9(2)12-8-10-5-6-11(12)7-10/h9-13H,3-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t9?,10?,11?,12?,13-/m1/s1.
What are the key properties of (2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid?
(2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107565970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).