2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid

C12H23NO2 — CID 65054998

IUPAC2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid
SMILESCCC(CC)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C12H23NO2/c1-3-10(4-2)7-13(9-12(14)15)8-11-5-6-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPAEWNTPYBUZUPJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds8

About 2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid

2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid (PubChem CID 65054998) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid
PubChem CID65054998
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid
SMILESCCC(CC)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C12H23NO2/c1-3-10(4-2)7-13(9-12(14)15)8-11-5-6-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPAEWNTPYBUZUPJ-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid
CID 62265201
2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43656855
2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 43656550
2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid
CID 106439202
2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
CID 43655102
2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656730
2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 79022935
2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 43656480
4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid
CID 82770458
2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 61209214
2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566526

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid (CID 65054998) is 2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid is CCC(CC)CN(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid?
The InChIKey is PAEWNTPYBUZUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-10(4-2)7-13(9-12(14)15)8-11-5-6-11/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid?
2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid is sourced from PubChem (CID 65054998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).