3-methyl-3-(pentan-2-ylamino)butanoic acid

C10H21NO2 — CID 107886489

IUPAC3-methyl-3-(pentan-2-ylamino)butanoic acid
SMILESCCCC(C)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-5-6-8(2)11-10(3,4)7-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyYVKQRSMZYUQWDE-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.02
Rot. Bonds6

About 3-methyl-3-(pentan-2-ylamino)butanoic acid

3-methyl-3-(pentan-2-ylamino)butanoic acid (PubChem CID 107886489) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-methyl-3-(pentan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(pentan-2-ylamino)butanoic acid
PubChem CID107886489
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-methyl-3-(pentan-2-ylamino)butanoic acid
SMILESCCCC(C)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-5-6-8(2)11-10(3,4)7-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyYVKQRSMZYUQWDE-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine
CID 107887400
3-methyl-3-(octan-2-ylcarbamoylamino)butanoic acid
CID 64700091
2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
CID 106328554
3-methyl-3-(propylamino)butanoic acid
CID 65235823
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 64701267
2-methyl-4-oxo-4-(pentan-2-ylamino)-2-propan-2-ylbutanoic acid
CID 43529425
4-(butan-2-ylamino)-4-methylpentanoic acid
CID 79695269
2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
CID 79798870
3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid
CID 114806347
butane-1,1-diol;bis(3-methyl-3-sulfanylbutanoic acid)
CID 174211945
2-methyl-2-(pentan-2-ylamino)-3-phenylpropanoic acid
CID 114992820
3-(4-aminopentanoylamino)-3-methylbutanoic acid
CID 64683706

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(pentan-2-ylamino)butanoic acid?
The IUPAC name of 3-methyl-3-(pentan-2-ylamino)butanoic acid (CID 107886489) is 3-methyl-3-(pentan-2-ylamino)butanoic acid.
What is the SMILES notation for 3-methyl-3-(pentan-2-ylamino)butanoic acid?
The canonical SMILES for 3-methyl-3-(pentan-2-ylamino)butanoic acid is CCCC(C)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-(pentan-2-ylamino)butanoic acid?
The InChIKey is YVKQRSMZYUQWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-8(2)11-10(3,4)7-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 3-methyl-3-(pentan-2-ylamino)butanoic acid?
3-methyl-3-(pentan-2-ylamino)butanoic acid has a molecular weight of 187.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(pentan-2-ylamino)butanoic acid is sourced from PubChem (CID 107886489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).