cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 114173120

IUPACcis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCC1
InChIInChI=1S/C14H24N2O3/c1-2-14(6-3-7-14)9-15-13(19)16-11-5-4-10(8-11)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)/t10-,11+/m1/s1
InChIKeyVZBYNIIMIYBBJC-MNOVXSKESA-N
MW268.36 g/mol
LogP2.12
Rot. Bonds5

About cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 114173120) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID114173120
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namecis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCC1
InChIInChI=1S/C14H24N2O3/c1-2-14(6-3-7-14)9-15-13(19)16-11-5-4-10(8-11)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)/t10-,11+/m1/s1
InChIKeyVZBYNIIMIYBBJC-MNOVXSKESA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320224
3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114117009
cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173028
1-[(1-ethylcyclobutyl)methyl]-3-[(1S,3S)-3-methylsulfonylcyclohexyl]urea
CID 97005967
4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006589
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 105419513
1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea
CID 115267566
3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106005432
4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114101646
4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024696
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 114173120) is cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is CCC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCC1.
What is the InChIKey of cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is VZBYNIIMIYBBJC-MNOVXSKESA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-14(6-3-7-14)9-15-13(19)16-11-5-4-10(8-11)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).