cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid

C14H26N2O3 — CID 106322969

IUPACcis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(CCN)CCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-14(2,7-8-15)6-5-12(17)16-11-4-3-10(9-11)13(18)19/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)/t10-,11+/m1/s1
InChIKeyDPCIOPSESPTSDC-MNOVXSKESA-N
MW270.37 g/mol
LogP1.51
Rot. Bonds7

About cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106322969) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106322969
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namecis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(CCN)CCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-14(2,7-8-15)6-5-12(17)16-11-4-3-10(9-11)13(18)19/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)/t10-,11+/m1/s1
InChIKeyDPCIOPSESPTSDC-MNOVXSKESA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

4-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxamide
CID 65290886
6-amino-N-(3,5-dimethylcyclohexyl)-4,4-dimethylhexanamide
CID 65291109
cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 120676611
cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808
6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
CID 79401305
6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide
CID 103063106
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide
CID 65472003
6-amino-4,4-dimethyl-N-(oxan-3-yl)hexanamide
CID 65291525
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid (CID 106322969) is cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid is CC(C)(CCN)CCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DPCIOPSESPTSDC-MNOVXSKESA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,7-8-15)6-5-12(17)16-11-4-3-10(9-11)13(18)19/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).