2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene

C15H27NO4 — CID 143630986

IUPAC2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene
SMILESC=CCCCCC.O=C(O)CNC(=O)OC1CCCC1
InChIInChI=1S/C8H13NO4.C7H14/c10-7(11)5-9-8(12)13-6-3-1-2-4-6;1-3-5-7-6-4-2/h6H,1-5H2,(H,9,12)(H,10,11);3H,1,4-7H2,2H3
InChIKeySWHFCYOPIIHQEZ-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.49
Rot. Bonds7

About 2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene

2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene (PubChem CID 143630986) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene.

Molecular Properties

Compound Name2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene
PubChem CID143630986
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene
SMILESC=CCCCCC.O=C(O)CNC(=O)OC1CCCC1
InChIInChI=1S/C8H13NO4.C7H14/c10-7(11)5-9-8(12)13-6-3-1-2-4-6;1-3-5-7-6-4-2/h6H,1-5H2,(H,9,12)(H,10,11);3H,1,4-7H2,2H3
InChIKeySWHFCYOPIIHQEZ-UHFFFAOYSA-N
XLogP3.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl N-ethylcarbamate
CID 54482890
acetic acid;oct-1-ene
CID 159976970
cyclohexyl N-ethylcarbamate
CID 22978796
dec-1-ene;dec-9-enoic acid
CID 87497067
acetic acid;octadec-1-ene;zinc
CID 175392389
cyclopropyl N-butylcarbamate
CID 165447718
2-[[(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl]oxycarbonylamino]acetic acid
CID 66828477
butane;3-cyclohexyloxy-3-oxopropanoic acid
CID 70481739
cyclopentane;hept-1-ene
CID 159296541
cyclohexyl (Z)-4-(octylamino)-4-oxobut-2-enoate
CID 139670324
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
octadeca-1,17-diene;tetradec-1-ene
CID 173070986

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene?
The IUPAC name of 2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene (CID 143630986) is 2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene.
What is the SMILES notation for 2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene?
The canonical SMILES for 2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene is C=CCCCCC.O=C(O)CNC(=O)OC1CCCC1.
What is the InChIKey of 2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene?
The InChIKey is SWHFCYOPIIHQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4.C7H14/c10-7(11)5-9-8(12)13-6-3-1-2-4-6;1-3-5-7-6-4-2/h6H,1-5H2,(H,9,12)(H,10,11);3H,1,4-7H2,2H3.
What are the key properties of 2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene?
2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene has a molecular weight of 285.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxycarbonylamino)acetic acid;hept-1-ene is sourced from PubChem (CID 143630986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).