2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid

C10H20N2O3 — CID 79201889

IUPAC2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid
SMILESCNCC(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)12(6-9(13)14)10(15)8(3)5-11-4/h7-8,11H,5-6H2,1-4H3,(H,13,14)
InChIKeyOZDHREZVAIBCCA-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.16
Rot. Bonds6

About 2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid

2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid (PubChem CID 79201889) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid
PubChem CID79201889
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid
SMILESCNCC(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)12(6-9(13)14)10(15)8(3)5-11-4/h7-8,11H,5-6H2,1-4H3,(H,13,14)
InChIKeyOZDHREZVAIBCCA-UHFFFAOYSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid
CID 119198355
2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid
CID 119198254
2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202529
2-[butan-2-yl-[3-(ethylamino)-2-methylpropanoyl]amino]acetic acid
CID 62838561
N-cyclobutyl-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 119799922
2-[propan-2-yl(prop-2-ynylcarbamoyl)amino]acetic acid
CID 61192933
N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride
CID 119740289
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid
CID 61197296
(2S)-2-[carboxymethyl-[(2S)-2-methyl-3-sulfanylpropanoyl]amino]propanoic acid
CID 57061099
2-(3-chloro-N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202960
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]-[(2S)-2-methyl-3-sulfanylpropanoyl]amino]acetic acid
CID 54499347
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid (CID 79201889) is 2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid is CNCC(C)C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid?
The InChIKey is OZDHREZVAIBCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)12(6-9(13)14)10(15)8(3)5-11-4/h7-8,11H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid?
2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 79201889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).