1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid

C13H19NO3 — CID 114990412

IUPAC1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(CN(C)C2(C(=O)O)CCCC2)o1
InChIInChI=1S/C13H19NO3/c1-10-5-6-11(17-10)9-14(2)13(12(15)16)7-3-4-8-13/h5-6H,3-4,7-9H2,1-2H3,(H,15,16)
InChIKeyHPDWWHWEFQOHAZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.42
Rot. Bonds4

About 1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid

1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 114990412) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid
PubChem CID114990412
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(CN(C)C2(C(=O)O)CCCC2)o1
InChIInChI=1S/C13H19NO3/c1-10-5-6-11(17-10)9-14(2)13(12(15)16)7-3-4-8-13/h5-6H,3-4,7-9H2,1-2H3,(H,15,16)
InChIKeyHPDWWHWEFQOHAZ-UHFFFAOYSA-N
XLogP2.42
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
CID 81179940
3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxetane-3-carboxylic acid
CID 115185022
1-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 60947085
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 115435030
1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine
CID 65088167
trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol
CID 102734364
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
CID 43526412
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 9401664
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 63130099
1-(N-methylanilino)cyclopentane-1-carboxylic acid
CID 114988662

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid (CID 114990412) is 1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid is Cc1ccc(CN(C)C2(C(=O)O)CCCC2)o1.
What is the InChIKey of 1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is HPDWWHWEFQOHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-5-6-11(17-10)9-14(2)13(12(15)16)7-3-4-8-13/h5-6H,3-4,7-9H2,1-2H3,(H,15,16).
What are the key properties of 1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid?
1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114990412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).