methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride

C10H19ClN2O3 — CID 119333931

IUPACmethyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride
SMILESCOC(=O)CC1(NC(=O)C(C)N)CCC1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-7(11)9(14)12-10(4-3-5-10)6-8(13)15-2;/h7H,3-6,11H2,1-2H3,(H,12,14);1H
InChIKeyHPBZAAJOARWQDR-UHFFFAOYSA-N
MW250.73 g/mol
LogP0.36
Rot. Bonds4

About methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride

methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride (PubChem CID 119333931) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride
PubChem CID119333931
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Namemethyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride
SMILESCOC(=O)CC1(NC(=O)C(C)N)CCC1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-7(11)9(14)12-10(4-3-5-10)6-8(13)15-2;/h7H,3-6,11H2,1-2H3,(H,12,14);1H
InChIKeyHPBZAAJOARWQDR-UHFFFAOYSA-N
XLogP0.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-ethylcyclopropyl)propanamide
CID 131186061
(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide
CID 104873901
2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702115
2-[1-[(2-amino-3-methylbutanoyl)amino]cyclopentyl]acetic acid
CID 64702283
2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid
CID 79845445
2-[1-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclopentyl]acetic acid
CID 64701117
(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 78991060
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536
2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
CID 64685103
methyl 2-[3,3-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65234470
methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
3-amino-N-[1-(2-amino-2-oxoethyl)cyclobutyl]butanamide
CID 119820639

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride?
The IUPAC name of methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride (CID 119333931) is methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride is COC(=O)CC1(NC(=O)C(C)N)CCC1.Cl.
What is the InChIKey of methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride?
The InChIKey is HPBZAAJOARWQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.ClH/c1-7(11)9(14)12-10(4-3-5-10)6-8(13)15-2;/h7H,3-6,11H2,1-2H3,(H,12,14);1H.
What are the key properties of methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride?
methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride is sourced from PubChem (CID 119333931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).