cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate

C11H21NO2 — CID 106323832

IUPACcis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate
SMILESCCCCCOC(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C11H21NO2/c1-2-3-4-7-14-11(13)9-5-6-10(12)8-9/h9-10H,2-8,12H2,1H3/t9-,10+/m1/s1
InChIKeySXKBXXBDAPCFJX-ZJUUUORDSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds5

About cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate

cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate (PubChem CID 106323832) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate
PubChem CID106323832
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namecis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate
SMILESCCCCCOC(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C11H21NO2/c1-2-3-4-7-14-11(13)9-5-6-10(12)8-9/h9-10H,2-8,12H2,1H3/t9-,10+/m1/s1
InChIKeySXKBXXBDAPCFJX-ZJUUUORDSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
1-O,2-O-dibutyl 4-O-octadecyl cyclohexane-1,2,4-tricarboxylate
CID 151068653
3-O-heptyl 1-O-undecyl cyclohexane-1,3-dicarboxylate
CID 91536693
3-O-butyl 1-O-pentyl cyclohexane-1,3-dicarboxylate
CID 66984581
3-O-pentyl 1-O-tridecyl cyclohexane-1,3-dicarboxylate
CID 90979250
3-O-butyl 1-O-octyl cyclohexane-1,3-dicarboxylate
CID 66983586
3-O-butyl 1-O-decyl cyclohexane-1,3-dicarboxylate
CID 66983365
2,5-bis(heptoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66984693
2-butoxyethyl 3-aminocyclohexane-1-carboxylate
CID 55148657
cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate
CID 165351670

Frequently Asked Questions

What is the IUPAC name of cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate?
The IUPAC name of cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate (CID 106323832) is cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate.
What is the SMILES notation for cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate?
The canonical SMILES for cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate is CCCCCOC(=O)[C@@H]1CC[C@H](N)C1.
What is the InChIKey of cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate?
The InChIKey is SXKBXXBDAPCFJX-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-4-7-14-11(13)9-5-6-10(12)8-9/h9-10H,2-8,12H2,1H3/t9-,10+/m1/s1.
What are the key properties of cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate?
cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 106323832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).