5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid

C15H25NO3 — CID 113440686

IUPAC5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C15H25NO3/c1-10(15(18)19)3-2-6-16-14(17)9-13-8-11-4-5-12(13)7-11/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyQTFCFNDYIUIBRY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.43
Rot. Bonds7

About 5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid

5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid (PubChem CID 113440686) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid
PubChem CID113440686
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C15H25NO3/c1-10(15(18)19)3-2-6-16-14(17)9-13-8-11-4-5-12(13)7-11/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyQTFCFNDYIUIBRY-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113440573
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
CID 43133583
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide
CID 103708805
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
(2S)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-methylpentanoic acid
CID 61155175
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
CID 43630318
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 54579772
N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 106242862
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide
CID 106245316
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid?
The IUPAC name of 5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid (CID 113440686) is 5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid is CC(CCCNC(=O)CC1CC2CCC1C2)C(=O)O.
What is the InChIKey of 5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid?
The InChIKey is QTFCFNDYIUIBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(15(18)19)3-2-6-16-14(17)9-13-8-11-4-5-12(13)7-11/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid?
5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 113440686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).