methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate

C14H26N2O3 — CID 54872362

IUPACmethyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)C(C)(N)C1CC1
InChIInChI=1S/C14H26N2O3/c1-10(2)9-16(8-7-12(17)19-4)13(18)14(3,15)11-5-6-11/h10-11H,5-9,15H2,1-4H3
InChIKeyPJOHLAGLYCEMIL-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.16
Rot. Bonds7

About methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate

methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate (PubChem CID 54872362) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate
PubChem CID54872362
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)C(C)(N)C1CC1
InChIInChI=1S/C14H26N2O3/c1-10(2)9-16(8-7-12(17)19-4)13(18)14(3,15)11-5-6-11/h10-11H,5-9,15H2,1-4H3
InChIKeyPJOHLAGLYCEMIL-UHFFFAOYSA-N
XLogP1.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-N-methyl-N-(2-methylpropyl)propanamide
CID 60867332
methyl 3-[2-methylpropyl(2,2,3,3-tetrafluoropropanoyl)amino]propanoate
CID 103733048
methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate
CID 79012450
3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid
CID 62328664
methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate
CID 62209865
methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 93373232
methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate
CID 60947713
3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid
CID 61162059
cis-(1S,2R)-2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378828
2-amino-2-cyclopropyl-N-methyl-N-(2-methylbutyl)propanamide
CID 60867524
methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
CID 79203299
methyl 3-[(2-chloro-2-fluoroacetyl)-(2-methylpropyl)amino]propanoate
CID 166334711

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate (CID 54872362) is methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)C(C)(N)C1CC1.
What is the InChIKey of methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate?
The InChIKey is PJOHLAGLYCEMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)9-16(8-7-12(17)19-4)13(18)14(3,15)11-5-6-11/h10-11H,5-9,15H2,1-4H3.
What are the key properties of methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate?
methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 54872362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).