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

C14H25N3O3 — CID 106319901

IUPACcis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1)N1CCCC1
InChIInChI=1S/C14H25N3O3/c1-10(17-6-2-3-7-17)9-15-14(20)16-12-5-4-11(8-12)13(18)19/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)/t10?,11-,12+/m1/s1
InChIKeyYHNIPPSJOGHQSU-SAIIYOCFSA-N
MW283.37 g/mol
LogP1.02
Rot. Bonds5

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

cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106319901) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106319901
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namecis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1)N1CCCC1
InChIInChI=1S/C14H25N3O3/c1-10(17-6-2-3-7-17)9-15-14(20)16-12-5-4-11(8-12)13(18)19/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)/t10?,11-,12+/m1/s1
InChIKeyYHNIPPSJOGHQSU-SAIIYOCFSA-N
XLogP1.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107
3-(2-methylsulfinylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 113484428
2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106744451
1-(1-methylsulfonylpiperidin-4-yl)-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95133776
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79191668
3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030259
1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 95681890
cis-(1R,3S)-3-(2-prop-2-enoxypropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114265030
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320505

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106319901) is cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid is CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1)N1CCCC1.
What is the InChIKey of cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is YHNIPPSJOGHQSU-SAIIYOCFSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(17-6-2-3-7-17)9-15-14(20)16-12-5-4-11(8-12)13(18)19/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)/t10?,11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.02, 5 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-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).