2-methylpropane;2-(propanoylamino)acetic acid

C9H19NO3 — CID 144657860

IUPAC2-methylpropane;2-(propanoylamino)acetic acid
SMILESCC(C)C.CCC(=O)NCC(=O)O
InChIInChI=1S/C5H9NO3.C4H10/c1-2-4(7)6-3-5(8)9;1-4(2)3/h2-3H2,1H3,(H,6,7)(H,8,9);4H,1-3H3
InChIKeyGIUMQBCBTJWJFT-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.26
Rot. Bonds3

About 2-methylpropane;2-(propanoylamino)acetic acid

2-methylpropane;2-(propanoylamino)acetic acid (PubChem CID 144657860) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-methylpropane;2-(propanoylamino)acetic acid.

Molecular Properties

Compound Name2-methylpropane;2-(propanoylamino)acetic acid
PubChem CID144657860
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-methylpropane;2-(propanoylamino)acetic acid
SMILESCC(C)C.CCC(=O)NCC(=O)O
InChIInChI=1S/C5H9NO3.C4H10/c1-2-4(7)6-3-5(8)9;1-4(2)3/h2-3H2,1H3,(H,6,7)(H,8,9);4H,1-3H3
InChIKeyGIUMQBCBTJWJFT-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-deuteriopropanoylamino)acetic acid
CID 170555172
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
N-(2-oxopropyl)propanamide
CID 23550155
2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
CID 139446842
2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid
CID 61478804
ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane
CID 163239020
2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid;hydrate
CID 86146096
2-(5-hydroxyhexanoylamino)acetic acid
CID 131802905
2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 101151663
2-(7-methyloctanoylamino)acetic acid
CID 21289225
2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid
CID 115730705
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;2-(propanoylamino)acetic acid?
The IUPAC name of 2-methylpropane;2-(propanoylamino)acetic acid (CID 144657860) is 2-methylpropane;2-(propanoylamino)acetic acid.
What is the SMILES notation for 2-methylpropane;2-(propanoylamino)acetic acid?
The canonical SMILES for 2-methylpropane;2-(propanoylamino)acetic acid is CC(C)C.CCC(=O)NCC(=O)O.
What is the InChIKey of 2-methylpropane;2-(propanoylamino)acetic acid?
The InChIKey is GIUMQBCBTJWJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.C4H10/c1-2-4(7)6-3-5(8)9;1-4(2)3/h2-3H2,1H3,(H,6,7)(H,8,9);4H,1-3H3.
What are the key properties of 2-methylpropane;2-(propanoylamino)acetic acid?
2-methylpropane;2-(propanoylamino)acetic acid has a molecular weight of 189.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;2-(propanoylamino)acetic acid is sourced from PubChem (CID 144657860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).