3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid

C10H20N2O3 — CID 62675191

IUPAC3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
SMILESCCC(C)NCC(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-8(3)11-6-9(13)12-5-7(2)10(14)15/h7-8,11H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyPFLNJPYWZHWCMN-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.21
Rot. Bonds7

About 3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid

3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid (PubChem CID 62675191) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
PubChem CID62675191
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
SMILESCCC(C)NCC(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-8(3)11-6-9(13)12-5-7(2)10(14)15/h7-8,11H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyPFLNJPYWZHWCMN-UHFFFAOYSA-N
XLogP0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-(2-methylbutyl)acetamide
CID 62691817
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
3-[[2-(butan-2-ylamino)acetyl]amino]-2-phenylpropanoic acid
CID 62884693
3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
CID 62833119
(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836312
3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175333
(2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid
CID 107825058
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79272524
2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
CID 61240833
3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid
CID 62675487
2-(butan-2-ylamino)-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 114175247

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid (CID 62675191) is 3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid is CCC(C)NCC(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is PFLNJPYWZHWCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-8(3)11-6-9(13)12-5-7(2)10(14)15/h7-8,11H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid?
3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62675191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).