1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide

C8H15N3O2 — CID 80588317

IUPAC1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCCC(N)=O)CC1
InChIInChI=1S/C8H15N3O2/c9-5-8(2-3-8)7(13)11-4-1-6(10)12/h1-5,9H2,(H2,10,12)(H,11,13)
InChIKeyHSWIPAVBZZSRIF-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.28
Rot. Bonds5

About 1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide (PubChem CID 80588317) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide
PubChem CID80588317
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCCC(N)=O)CC1
InChIInChI=1S/C8H15N3O2/c9-5-8(2-3-8)7(13)11-4-1-6(10)12/h1-5,9H2,(H2,10,12)(H,11,13)
InChIKeyHSWIPAVBZZSRIF-UHFFFAOYSA-N
XLogP-1.28
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
CID 80587363
1-amino-N-(3-amino-3-oxopropyl)cyclohexane-1-carboxamide
CID 43553625
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
1-(aminomethyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 80587383
1-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]cyclopropane-1-carboxamide
CID 115453135
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide
CID 106235064
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide
CID 80587484
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 106175617
1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide
CID 79394609

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide (CID 80588317) is 1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide is NCC1(C(=O)NCCC(N)=O)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide?
The InChIKey is HSWIPAVBZZSRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-5-8(2-3-8)7(13)11-4-1-6(10)12/h1-5,9H2,(H2,10,12)(H,11,13).
What are the key properties of 1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80588317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).