(2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide

C8H17N3O — CID 130736337

IUPAC(2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide
SMILESC[C@H](N)C(=O)NCC1(N)CCC1
InChIInChI=1S/C8H17N3O/c1-6(9)7(12)11-5-8(10)3-2-4-8/h6H,2-5,9-10H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyINMOYZPBQGUSNZ-LURJTMIESA-N
MW171.24 g/mol
LogP-0.67
Rot. Bonds3

About (2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide

(2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide (PubChem CID 130736337) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide
PubChem CID130736337
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide
SMILESC[C@H](N)C(=O)NCC1(N)CCC1
InChIInChI=1S/C8H17N3O/c1-6(9)7(12)11-5-8(10)3-2-4-8/h6H,2-5,9-10H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyINMOYZPBQGUSNZ-LURJTMIESA-N
XLogP-0.67
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
(2R)-2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798136
2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798125
N-[(1-aminocyclopentyl)methyl]-2,2-difluoroacetamide
CID 164661336
N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide
CID 119404176
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536
2-amino-N-[(1-cyclopropylcyclopropyl)methyl]propanamide
CID 103950896
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
(1-aminocyclohexyl)methylurea
CID 61298669
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate
CID 103352907
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide (CID 130736337) is (2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide is C[C@H](N)C(=O)NCC1(N)CCC1.
What is the InChIKey of (2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide?
The InChIKey is INMOYZPBQGUSNZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(9)7(12)11-5-8(10)3-2-4-8/h6H,2-5,9-10H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide?
(2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide has a molecular weight of 171.24 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide is sourced from PubChem (CID 130736337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).