(2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid

C11H18N2O3 — CID 78995764

IUPAC(2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid
SMILESC[C@@H](NC(=O)NC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-6(10(14)15)12-11(16)13-9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3,(H,14,15)(H2,12,13,16)/t6-,7?,8?,9?/m1/s1
InChIKeyFPMBREZANAPOHD-LJSVPSOQSA-N
MW226.28 g/mol
LogP0.95
Rot. Bonds3

About (2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid

(2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid (PubChem CID 78995764) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid
PubChem CID78995764
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid
SMILESC[C@@H](NC(=O)NC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-6(10(14)15)12-11(16)13-9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3,(H,14,15)(H2,12,13,16)/t6-,7?,8?,9?/m1/s1
InChIKeyFPMBREZANAPOHD-LJSVPSOQSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285581
2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid
CID 54955651
2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372819
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
CID 79012677
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride
CID 119327587
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
CID 98231847
2-(2-bicyclo[2.2.1]heptanylamino)-N-methylpropanamide
CID 61464603
3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide
CID 115891278
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea
CID 11892921

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid (CID 78995764) is (2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid is C[C@@H](NC(=O)NC1CC2CCC1C2)C(=O)O.
What is the InChIKey of (2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid?
The InChIKey is FPMBREZANAPOHD-LJSVPSOQSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-6(10(14)15)12-11(16)13-9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3,(H,14,15)(H2,12,13,16)/t6-,7?,8?,9?/m1/s1.
What are the key properties of (2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid?
(2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid is sourced from PubChem (CID 78995764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).