2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid

C9H19NO2 — CID 43538632

IUPAC2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid
SMILESCC(CNC(C)C(C)C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(2)8(4)10-5-7(3)9(11)12/h6-8,10H,5H2,1-4H3,(H,11,12)
InChIKeyGZXXKKOAAWGYRI-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.34
Rot. Bonds5

About 2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid

2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid (PubChem CID 43538632) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid
PubChem CID43538632
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid
SMILESCC(CNC(C)C(C)C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(2)8(4)10-5-7(3)9(11)12/h6-8,10H,5H2,1-4H3,(H,11,12)
InChIKeyGZXXKKOAAWGYRI-UHFFFAOYSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 61469518
3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 64597206
3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 43538400
2-methyl-3-(pent-1-yn-3-ylamino)propanoic acid
CID 106228890
3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
CID 79397684
2-methyl-3-(2-methylpropylamino)butanoic acid
CID 79391820
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81359638
(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
CID 45082351
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
3-(2-carboxyethylamino)-2-methylpropanoic acid
CID 154090510
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
N-(2,2-difluoroethyl)-3-methylbutan-2-amine
CID 60922159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid (CID 43538632) is 2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid is CC(CNC(C)C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid?
The InChIKey is GZXXKKOAAWGYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)8(4)10-5-7(3)9(11)12/h6-8,10H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid?
2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid is sourced from PubChem (CID 43538632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).