cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H24N2O4 — CID 106319606

IUPACcis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCCCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-2-3-7-19-8-6-14-13(18)15-11-5-4-10(9-11)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)/t10-,11+/m1/s1
InChIKeyKBKWYDGACVYVHO-MNOVXSKESA-N
MW272.34 g/mol
LogP1.36
Rot. Bonds8

About cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106319606) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106319606
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namecis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCCCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-2-3-7-19-8-6-14-13(18)15-11-5-4-10(9-11)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)/t10-,11+/m1/s1
InChIKeyKBKWYDGACVYVHO-MNOVXSKESA-N
XLogP1.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032046
cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319333
cis-(1R,3S)-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319589
3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032224
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
3-(3-ethoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55146734
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61171060
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173693
cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 106321388
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106319606) is cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid is CCCCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is KBKWYDGACVYVHO-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-3-7-19-8-6-14-13(18)15-11-5-4-10(9-11)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).