N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride

C11H22ClN3O2 — CID 119270340

IUPACN-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride
SMILESCC(C)C(N)C(=O)NCCNC(=O)C1CC1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-7(2)9(12)11(16)14-6-5-13-10(15)8-3-4-8;/h7-9H,3-6,12H2,1-2H3,(H,13,15)(H,14,16);1H
InChIKeySPGQEZDHGDJCAN-UHFFFAOYSA-N
MW263.77 g/mol
LogP0.03
Rot. Bonds6

About N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride

N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119270340) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119270340
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC NameN-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride
SMILESCC(C)C(N)C(=O)NCCNC(=O)C1CC1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-7(2)9(12)11(16)14-6-5-13-10(15)8-3-4-8;/h7-9H,3-6,12H2,1-2H3,(H,13,15)(H,14,16);1H
InChIKeySPGQEZDHGDJCAN-UHFFFAOYSA-N
XLogP0.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide
CID 115733623
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
CID 113288241
(2R)-2-[[4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-methylbutanoic acid;hydrochloride
CID 52994210
(2S)-2-[[4-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-methylbutanoic acid
CID 7096607
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
(2R)-2-[[4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid;hydrochloride
CID 52994219
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 66952368
(2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
CID 139696005
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride (CID 119270340) is N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride is CC(C)C(N)C(=O)NCCNC(=O)C1CC1.Cl.
What is the InChIKey of N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is SPGQEZDHGDJCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-7(2)9(12)11(16)14-6-5-13-10(15)8-3-4-8;/h7-9H,3-6,12H2,1-2H3,(H,13,15)(H,14,16);1H.
What are the key properties of N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride?
N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119270340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).