3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid

C10H18N2O3 — CID 174464375

IUPAC3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid
SMILESO=C(O)CC(O)=CCCCN1CCNC1
InChIInChI=1S/C10H18N2O3/c13-9(7-10(14)15)3-1-2-5-12-6-4-11-8-12/h3,11,13H,1-2,4-8H2,(H,14,15)
InChIKeyKAUVFYIGMDSJJX-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.55
Rot. Bonds6

About 3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid

3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid (PubChem CID 174464375) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid.

Molecular Properties

Compound Name3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid
PubChem CID174464375
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid
SMILESO=C(O)CC(O)=CCCCN1CCNC1
InChIInChI=1S/C10H18N2O3/c13-9(7-10(14)15)3-1-2-5-12-6-4-11-8-12/h3,11,13H,1-2,4-8H2,(H,14,15)
InChIKeyKAUVFYIGMDSJJX-UHFFFAOYSA-N
XLogP0.55
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-imidazolidin-1-ylpropanal
CID 56999085
6-imidazolidin-1-yl-2-methylhexan-3-one
CID 58309908
6-piperazin-1-ylhexanoic acid
CID 54010280
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
(2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid
CID 175454459
ethane;2-piperazin-1-ylacetic acid
CID 143723779
5-piperazin-1-ylpentylcarbamic acid
CID 166666960
5-(1,4-diazepan-1-yl)pentanoic acid
CID 61397954
1-(2-chloroethyl)imidazolidine
CID 66872151
trisodium;2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;hydride
CID 174236195
3-(1,4,7,10,13-pentazacyclopentadec-1-yl)propanoic acid
CID 21338288

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid?
The IUPAC name of 3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid (CID 174464375) is 3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid.
What is the SMILES notation for 3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid?
The canonical SMILES for 3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid is O=C(O)CC(O)=CCCCN1CCNC1.
What is the InChIKey of 3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid?
The InChIKey is KAUVFYIGMDSJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c13-9(7-10(14)15)3-1-2-5-12-6-4-11-8-12/h3,11,13H,1-2,4-8H2,(H,14,15).
What are the key properties of 3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid?
3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid is sourced from PubChem (CID 174464375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).