2-(3-methylpentan-3-ylamino)propanoic acid

C9H19NO2 — CID 103829131

IUPAC2-(3-methylpentan-3-ylamino)propanoic acid
SMILESCCC(C)(CC)NC(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-5-9(4,6-2)10-7(3)8(11)12/h7,10H,5-6H2,1-4H3,(H,11,12)
InChIKeyULPOCKIDKGMRPM-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.63
Rot. Bonds5

About 2-(3-methylpentan-3-ylamino)propanoic acid

2-(3-methylpentan-3-ylamino)propanoic acid (PubChem CID 103829131) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(3-methylpentan-3-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(3-methylpentan-3-ylamino)propanoic acid
PubChem CID103829131
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-(3-methylpentan-3-ylamino)propanoic acid
SMILESCCC(C)(CC)NC(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-5-9(4,6-2)10-7(3)8(11)12/h7,10H,5-6H2,1-4H3,(H,11,12)
InChIKeyULPOCKIDKGMRPM-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 106330759
(2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid
CID 89142336
2-[(1-fluoro-1-hydroxypropyl)amino]propanoic acid
CID 175034912
2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
CID 106328554
N-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]propanamide
CID 64550594
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid
CID 106185087
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide
CID 106175369
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114154103
propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate
CID 129152201
2-(2,2-diethylhydrazinyl)propanoic acid
CID 175089566
(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid
CID 103463188

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-ylamino)propanoic acid?
The IUPAC name of 2-(3-methylpentan-3-ylamino)propanoic acid (CID 103829131) is 2-(3-methylpentan-3-ylamino)propanoic acid.
What is the SMILES notation for 2-(3-methylpentan-3-ylamino)propanoic acid?
The canonical SMILES for 2-(3-methylpentan-3-ylamino)propanoic acid is CCC(C)(CC)NC(C)C(=O)O.
What is the InChIKey of 2-(3-methylpentan-3-ylamino)propanoic acid?
The InChIKey is ULPOCKIDKGMRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-9(4,6-2)10-7(3)8(11)12/h7,10H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-(3-methylpentan-3-ylamino)propanoic acid?
2-(3-methylpentan-3-ylamino)propanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-ylamino)propanoic acid is sourced from PubChem (CID 103829131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).