1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine

C14H23N3O4 — CID 67691802

IUPAC1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine
SMILESNCCc1cnc[nH]1.O=C(O)CCC1(C(=O)O)CCCC1
InChIInChI=1S/C9H14O4.C5H9N3/c10-7(11)3-6-9(8(12)13)4-1-2-5-9;6-2-1-5-3-7-4-8-5/h1-6H2,(H,10,11)(H,12,13);3-4H,1-2,6H2,(H,7,8)
InChIKeyIBGSEQRKRIZIDN-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.41
Rot. Bonds6

About 1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine

1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine (PubChem CID 67691802) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine
PubChem CID67691802
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine
SMILESNCCc1cnc[nH]1.O=C(O)CCC1(C(=O)O)CCCC1
InChIInChI=1S/C9H14O4.C5H9N3/c10-7(11)3-6-9(8(12)13)4-1-2-5-9;6-2-1-5-3-7-4-8-5/h1-6H2,(H,10,11)(H,12,13);3-4H,1-2,6H2,(H,7,8)
InChIKeyIBGSEQRKRIZIDN-UHFFFAOYSA-N
XLogP1.41
TPSA129.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
CID 174826915
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine
CID 67432919
2-(1H-imidazol-5-yl)ethanamine;phenol
CID 67627701
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
(2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894530
2-amino-4-methylpentanoic acid;2-(1H-imidazol-5-yl)ethanamine
CID 174496093
(3R)-1-(1H-imidazol-5-ylmethyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97123144
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine
CID 88937716
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360

Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of 1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine (CID 67691802) is 1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine is NCCc1cnc[nH]1.O=C(O)CCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is IBGSEQRKRIZIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4.C5H9N3/c10-7(11)3-6-9(8(12)13)4-1-2-5-9;6-2-1-5-3-7-4-8-5/h1-6H2,(H,10,11)(H,12,13);3-4H,1-2,6H2,(H,7,8).
What are the key properties of 1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine?
1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 297.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxyethyl)cyclopentane-1-carboxylic acid;2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 67691802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).