2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid

C14H23NO3 — CID 43630318

IUPAC2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H23NO3/c1-2-3-12(14(17)18)15-13(16)8-11-7-9-4-5-10(11)6-9/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyAPCDPNQEGCETFI-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds6

About 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid

2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid (PubChem CID 43630318) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
PubChem CID43630318
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H23NO3/c1-2-3-12(14(17)18)15-13(16)8-11-7-9-4-5-10(11)6-9/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyAPCDPNQEGCETFI-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid
CID 61143196
(2R)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid
CID 107830054
(2S)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-methylpentanoic acid
CID 61155175
2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid
CID 43631080
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide
CID 55137320
5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid
CID 113440686
(2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid
CID 107565970
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941108
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide
CID 114305540

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid (CID 43630318) is 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid is CCCC(NC(=O)CC1CC2CCC1C2)C(=O)O.
What is the InChIKey of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid?
The InChIKey is APCDPNQEGCETFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-12(14(17)18)15-13(16)8-11-7-9-4-5-10(11)6-9/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid?
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43630318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).