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

C12H21NO4 — CID 106321388

IUPACcis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
SMILESCCCOCCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-2-6-17-7-5-11(14)13-10-4-3-9(8-10)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/t9-,10+/m1/s1
InChIKeyYKTROVPCLQSIAO-ZJUUUORDSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds7

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

cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106321388) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
PubChem CID106321388
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namecis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
SMILESCCCOCCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-2-6-17-7-5-11(14)13-10-4-3-9(8-10)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/t9-,10+/m1/s1
InChIKeyYKTROVPCLQSIAO-ZJUUUORDSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511
cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319606
3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032046
3-(3-piperidin-4-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 66030555
cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 120676611

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid (CID 106321388) is cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid is CCCOCCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is YKTROVPCLQSIAO-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-6-17-7-5-11(14)13-10-4-3-9(8-10)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).