2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid

C14H24N2O3 — CID 43656730

IUPAC2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
SMILESC=C(C)CN(CC)C(=O)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C14H24N2O3/c1-4-16(7-11(2)3)13(17)9-15(10-14(18)19)8-12-5-6-12/h12H,2,4-10H2,1,3H3,(H,18,19)
InChIKeyLELDFBLODLDIDG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.21
Rot. Bonds9

About 2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid

2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 43656730) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID43656730
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
SMILESC=C(C)CN(CC)C(=O)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C14H24N2O3/c1-4-16(7-11(2)3)13(17)9-15(10-14(18)19)8-12-5-6-12/h12H,2,4-10H2,1,3H3,(H,18,19)
InChIKeyLELDFBLODLDIDG-UHFFFAOYSA-N
XLogP1.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 60834611
2-cyclopentyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 86978195
2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442339
2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61009237
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
CID 60712574
2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid
CID 106439202
N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide
CID 23534016
2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid
CID 65054998
2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 43656480
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid (CID 43656730) is 2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid is C=C(C)CN(CC)C(=O)CN(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is LELDFBLODLDIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-16(7-11(2)3)13(17)9-15(10-14(18)19)8-12-5-6-12/h12H,2,4-10H2,1,3H3,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43656730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).