cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid

C14H27N3O3 — CID 106319618

IUPACcis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCN(CC)CC(C)NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-4-17(5-2)9-10(3)15-14(20)16-12-7-6-11(8-12)13(18)19/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20)/t10?,11-,12+/m1/s1
InChIKeyFHHFWWRMDXDLLZ-SAIIYOCFSA-N
MW285.39 g/mol
LogP1.27
Rot. Bonds7

About cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106319618) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106319618
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Namecis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCN(CC)CC(C)NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-4-17(5-2)9-10(3)15-14(20)16-12-7-6-11(8-12)13(18)19/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20)/t10?,11-,12+/m1/s1
InChIKeyFHHFWWRMDXDLLZ-SAIIYOCFSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 106319618) is cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid is CCN(CC)CC(C)NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FHHFWWRMDXDLLZ-SAIIYOCFSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-17(5-2)9-10(3)15-14(20)16-12-7-6-11(8-12)13(18)19/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20)/t10?,11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.27, 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-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).