cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid

C14H19N3O5 — CID 120678128

IUPACcis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CNC(=O)NCc1ccco1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H19N3O5/c18-12(17-10-4-3-9(6-10)13(19)20)8-16-14(21)15-7-11-2-1-5-22-11/h1-2,5,9-10H,3-4,6-8H2,(H,17,18)(H,19,20)(H2,15,16,21)/t9-,10+/m1/s1
InChIKeyQKKXSNWGSBDCMI-ZJUUUORDSA-N
MW309.32 g/mol
LogP0.45
Rot. Bonds6

About cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678128) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678128
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Namecis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CNC(=O)NCc1ccco1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H19N3O5/c18-12(17-10-4-3-9(6-10)13(19)20)8-16-14(21)15-7-11-2-1-5-22-11/h1-2,5,9-10H,3-4,6-8H2,(H,17,18)(H,19,20)(H2,15,16,21)/t9-,10+/m1/s1
InChIKeyQKKXSNWGSBDCMI-ZJUUUORDSA-N
XLogP0.45
TPSA120.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525527
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 124866485
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
1-[2-(furan-2-ylmethylcarbamoylamino)acetyl]piperidine-2-carboxylic acid
CID 119175876
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031040
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 43401424
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 60544041

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120678128) is cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CNC(=O)NCc1ccco1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QKKXSNWGSBDCMI-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H19N3O5/c18-12(17-10-4-3-9(6-10)13(19)20)8-16-14(21)15-7-11-2-1-5-22-11/h1-2,5,9-10H,3-4,6-8H2,(H,17,18)(H,19,20)(H2,15,16,21)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).