2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid

C12H24N2O3 — CID 113308947

IUPAC2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C(CC)(CC)CN
InChIInChI=1S/C12H24N2O3/c1-4-7-14(8-10(15)16)11(17)12(5-2,6-3)9-13/h4-9,13H2,1-3H3,(H,15,16)
InChIKeyRZMXCSWPLJCXDX-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.07
Rot. Bonds8

About 2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid

2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid (PubChem CID 113308947) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid
PubChem CID113308947
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C(CC)(CC)CN
InChIInChI=1S/C12H24N2O3/c1-4-7-14(8-10(15)16)11(17)12(5-2,6-3)9-13/h4-9,13H2,1-3H3,(H,15,16)
InChIKeyRZMXCSWPLJCXDX-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 115432024
2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide
CID 115431597
2-[2-methylprop-2-enoyl(propyl)amino]acetic acid
CID 150716487
2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 107438469
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
CID 61186126
2-[propyl(prop-2-ynoyl)amino]acetic acid
CID 61012212
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid
CID 115867094
2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
CID 107438385
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,2,3-trimethyl-N-propylbutanamide
CID 65270059

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid (CID 113308947) is 2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C(CC)(CC)CN.
What is the InChIKey of 2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid?
The InChIKey is RZMXCSWPLJCXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-7-14(8-10(15)16)11(17)12(5-2,6-3)9-13/h4-9,13H2,1-3H3,(H,15,16).
What are the key properties of 2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid?
2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid has a molecular weight of 244.33 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid is sourced from PubChem (CID 113308947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).