2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid

C10H20N2O3 — CID 60832957

IUPAC2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid
SMILESCCC(C)N(CCNC(C)=O)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-8(2)12(7-10(14)15)6-5-11-9(3)13/h8H,4-7H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyMAIWWPVRJZQDNK-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.31
Rot. Bonds7

About 2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid

2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid (PubChem CID 60832957) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid
PubChem CID60832957
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid
SMILESCCC(C)N(CCNC(C)=O)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-8(2)12(7-10(14)15)6-5-11-9(3)13/h8H,4-7H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyMAIWWPVRJZQDNK-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
CID 60833263
2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
CID 61484904
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid
CID 91527468
2-[2-[butan-2-yl(methyl)amino]ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 114134222
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid
CID 61184394
2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 54925680
2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid
CID 66045977
3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid
CID 82328942
3-[3-acetamidopropanoyl(propan-2-yl)amino]propanoic acid
CID 60832281

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid?
The IUPAC name of 2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid (CID 60832957) is 2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid is CCC(C)N(CCNC(C)=O)CC(=O)O.
What is the InChIKey of 2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid?
The InChIKey is MAIWWPVRJZQDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-8(2)12(7-10(14)15)6-5-11-9(3)13/h8H,4-7H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid?
2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid is sourced from PubChem (CID 60832957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).