2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid

C8H16N2O3 — CID 139446842

IUPAC2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
SMILESCC(C)CNCC(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(2)3-9-4-7(11)10-5-8(12)13/h6,9H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyPQDJMJIWICSURT-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.57
Rot. Bonds6

About 2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid

2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid (PubChem CID 139446842) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
PubChem CID139446842
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
SMILESCC(C)CNCC(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(2)3-9-4-7(11)10-5-8(12)13/h6,9H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyPQDJMJIWICSURT-UHFFFAOYSA-N
XLogP-0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
N-(8-methylnonyl)-2-(2-methylpropylamino)acetamide
CID 156546991
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 64598626
2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid;hydrate
CID 86146096
2-[[2-(hydroxyamino)acetyl]amino]acetic acid
CID 118448410
N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide
CID 3381858
2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 83144191
acetic acid;2-(2,2-dihydroxyethylamino)acetic acid
CID 175208763
methyl 2-(2-methylpropylamino)acetate
CID 22175789
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
2-(7-methyloctanoylamino)acetic acid
CID 21289225

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid (CID 139446842) is 2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid is CC(C)CNCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid?
The InChIKey is PQDJMJIWICSURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(2)3-9-4-7(11)10-5-8(12)13/h6,9H,3-5H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid?
2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid has a molecular weight of 188.23 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 139446842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).