cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C12H19N3O3 — CID 106319528

IUPACcis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C#N)CN(C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H19N3O3/c1-8(6-13)7-15(2)12(18)14-10-4-3-9(5-10)11(16)17/h8-10H,3-5,7H2,1-2H3,(H,14,18)(H,16,17)/t8?,9-,10+/m1/s1
InChIKeyQZUZEOBJDOIYEG-XVBQNVSMSA-N
MW253.30 g/mol
LogP1.04
Rot. Bonds4

About cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106319528) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106319528
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namecis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C#N)CN(C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H19N3O3/c1-8(6-13)7-15(2)12(18)14-10-4-3-9(5-10)11(16)17/h8-10H,3-5,7H2,1-2H3,(H,14,18)(H,16,17)/t8?,9-,10+/m1/s1
InChIKeyQZUZEOBJDOIYEG-XVBQNVSMSA-N
XLogP1.04
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3,3-Trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030262
3-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031225
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031638
3-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031840
3-(2,2,2-Trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
3-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032043
3-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032044
3-[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032652
3-[[3-(Trifluoromethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 66032653
3-[[4-(Trifluoromethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 66032654
3-(4,4,4-Trifluorobutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 105945202
cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319562

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106319528) is cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CC(C#N)CN(C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QZUZEOBJDOIYEG-XVBQNVSMSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(6-13)7-15(2)12(18)14-10-4-3-9(5-10)11(16)17/h8-10H,3-5,7H2,1-2H3,(H,14,18)(H,16,17)/t8?,9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).