N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide

C14H21N3O3 — CID 119601214

IUPACN-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESNCC1CCCC1NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C14H21N3O3/c15-9-10-3-1-4-11(10)17-13(18)6-7-16-14(19)12-5-2-8-20-12/h2,5,8,10-11H,1,3-4,6-7,9,15H2,(H,16,19)(H,17,18)
InChIKeyRPYCIDAIOWXXCY-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.64
Rot. Bonds6

About N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 119601214) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID119601214
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESNCC1CCCC1NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C14H21N3O3/c15-9-10-3-1-4-11(10)17-13(18)6-7-16-14(19)12-5-2-8-20-12/h2,5,8,10-11H,1,3-4,6-7,9,15H2,(H,16,19)(H,17,18)
InChIKeyRPYCIDAIOWXXCY-UHFFFAOYSA-N
XLogP0.64
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119609655
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119589410
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 119611841
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 51981184
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43360356
3-(furan-2-carbonylamino)propanoic acid
CID 762504

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide (CID 119601214) is N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide is NCC1CCCC1NC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is RPYCIDAIOWXXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-9-10-3-1-4-11(10)17-13(18)6-7-16-14(19)12-5-2-8-20-12/h2,5,8,10-11H,1,3-4,6-7,9,15H2,(H,16,19)(H,17,18).
What are the key properties of N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 119601214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).