N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride

C12H24ClN3O2 — CID 66952368

IUPACN-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride
SMILESCC(C)(C)[C@H](NCCNC(=O)C1CC1)C(N)=O.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-12(2,3)9(10(13)16)14-6-7-15-11(17)8-4-5-8;/h8-9,14H,4-7H2,1-3H3,(H2,13,16)(H,15,17);1H/t9-;/m1./s1
InChIKeyHKSITTBPVCKUTC-SBSPUUFOSA-N
MW277.80 g/mol
LogP0.42
Rot. Bonds6

About N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride

N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 66952368) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride
PubChem CID66952368
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride
SMILESCC(C)(C)[C@H](NCCNC(=O)C1CC1)C(N)=O.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-12(2,3)9(10(13)16)14-6-7-15-11(17)8-4-5-8;/h8-9,14H,4-7H2,1-3H3,(H2,13,16)(H,15,17);1H/t9-;/m1./s1
InChIKeyHKSITTBPVCKUTC-SBSPUUFOSA-N
XLogP0.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride with MolForge

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Related Compounds

N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 119270340
3,3-dimethyl-2-(propylamino)butanamide
CID 61325789
N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 113481378
N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
CID 107472733
N-[2-(pentan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 75525140
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
CID 113288241
N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 104865064
N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 115706423
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669
N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide
CID 115769747

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride (CID 66952368) is N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride is CC(C)(C)[C@H](NCCNC(=O)C1CC1)C(N)=O.Cl.
What is the InChIKey of N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is HKSITTBPVCKUTC-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-12(2,3)9(10(13)16)14-6-7-15-11(17)8-4-5-8;/h8-9,14H,4-7H2,1-3H3,(H2,13,16)(H,15,17);1H/t9-;/m1./s1.
What are the key properties of N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride?
N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 66952368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).