cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C14H25N3O3 — CID 106319383

IUPACcis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-2-17(12-5-7-15-8-6-12)14(20)16-11-4-3-10(9-11)13(18)19/h10-12,15H,2-9H2,1H3,(H,16,20)(H,18,19)/t10-,11+/m1/s1
InChIKeyLERWBKFLXOGOGK-MNOVXSKESA-N
MW283.37 g/mol
LogP1.02
Rot. Bonds4

About cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106319383) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106319383
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namecis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-2-17(12-5-7-15-8-6-12)14(20)16-11-4-3-10(9-11)13(18)19/h10-12,15H,2-9H2,1H3,(H,16,20)(H,18,19)/t10-,11+/m1/s1
InChIKeyLERWBKFLXOGOGK-MNOVXSKESA-N
XLogP1.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030439
cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319921
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031638
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 61408507
3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 104552932
3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea
CID 62699859
cis-(1R,3S)-3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319510
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106319383) is cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CCN(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)C1CCNCC1.
What is the InChIKey of cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is LERWBKFLXOGOGK-MNOVXSKESA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-17(12-5-7-15-8-6-12)14(20)16-11-4-3-10(9-11)13(18)19/h10-12,15H,2-9H2,1H3,(H,16,20)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).