3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid

C11H19NO3 — CID 82820640

IUPAC3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCCN(CC1CC1)C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-12(7-8-5-6-8)9(13)11(2,3)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyDMYKNWBGSMIRMJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds5

About 3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid

3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid (PubChem CID 82820640) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
PubChem CID82820640
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCCN(CC1CC1)C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-12(7-8-5-6-8)9(13)11(2,3)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyDMYKNWBGSMIRMJ-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide
CID 114290733
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821381
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-methylpropanamide
CID 107398375
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide
CID 107397616
N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide
CID 23534016
2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61443321
2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804081
N-(cyclobutylmethyl)-N-ethyl-2,2,3,3,3-pentafluoropropanamide
CID 114038274
4-[cyclopropylmethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63955071
3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821374
2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 79805439

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid (CID 82820640) is 3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The canonical SMILES for 3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid is CCN(CC1CC1)C(=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The InChIKey is DMYKNWBGSMIRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-12(7-8-5-6-8)9(13)11(2,3)10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid is sourced from PubChem (CID 82820640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).